4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide

C24H30F4N4O2S — CID 165405119

IUPAC4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)s2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1
InChIInChI=1S/C24H30F4N4O2S/c1-14-30-13-20(35-14)18(23(7-8-23)24(26,27)28)11-21(33)31-12-17(32(3)4)9-15-5-6-16(10-19(15)25)22(34)29-2/h5-6,10,13,17-18H,7-9,11-12H2,1-4H3,(H,29,34)(H,31,33)/t17-,18+/m0/s1
InChIKeyACHFUOFYNBXHJL-ZWKOTPCHSA-N
MW514.59 g/mol
LogP4.06
Rot. Bonds10

About 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide

4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide (PubChem CID 165405119) has the molecular formula C24H30F4N4O2S and a molecular weight of 514.59 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide
PubChem CID165405119
Molecular FormulaC24H30F4N4O2S
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC Name4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)s2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1
InChIInChI=1S/C24H30F4N4O2S/c1-14-30-13-20(35-14)18(23(7-8-23)24(26,27)28)11-21(33)31-12-17(32(3)4)9-15-5-6-16(10-19(15)25)22(34)29-2/h5-6,10,13,17-18H,7-9,11-12H2,1-4H3,(H,29,34)(H,31,33)/t17-,18+/m0/s1
InChIKeyACHFUOFYNBXHJL-ZWKOTPCHSA-N
XLogP4.06
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289542
N-[2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethyl]-2,6-dimethylbenzamide
CID 118289576
3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118303965
(2S,4R)-4-fluoro-1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138342
4-((S)-2-(dimethylamino)-3-((R)-3-(2-methylthiazol-5-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluorobenzamide
CID 166025601
Phenyl-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56682654
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluoro-4-methylphenyl)-5-(1,3-thiazol-2-yl)benzamide
CID 59432550
3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]-5-(1,3-thiazol-5-yl)benzamide
CID 59432560
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide
CID 59432563
(S)-N-((S)-3-(4-(4H-1,2,4-triazol-3-yl)phenyl)-2-(dimethylamino)propyl)-3-(5-methylthiazol-2-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamide
CID 166025410
4-((S)-2-(dimethylamino)-3-((S)-3-(5-methylthiazol-2-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluorobenzamide
CID 166025467
N-(2-benzamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 53501170

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide (CID 165405119) is 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide is CNC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cnc(C)s2)C2(C(F)(F)F)CC2)N(C)C)c(F)c1.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide?
The InChIKey is ACHFUOFYNBXHJL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C24H30F4N4O2S/c1-14-30-13-20(35-14)18(23(7-8-23)24(26,27)28)11-21(33)31-12-17(32(3)4)9-15-5-6-16(10-19(15)25)22(34)29-2/h5-6,10,13,17-18H,7-9,11-12H2,1-4H3,(H,29,34)(H,31,33)/t17-,18+/m0/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide?
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide has a molecular weight of 514.59 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 165405119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).