3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide

C20H21N3OS — CID 175248146

IUPAC3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NCCCc1ccccc1
InChIInChI=1S/C20H21N3OS/c1-15-14-17(19(24)23-20-22-12-13-25-20)9-10-18(15)21-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,22,23,24)
InChIKeyHHYCGLPRQDCBJD-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.75
Rot. Bonds7

About 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide

3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 175248146) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID175248146
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)ccc1NCCCc1ccccc1
InChIInChI=1S/C20H21N3OS/c1-15-14-17(19(24)23-20-22-12-13-25-20)9-10-18(15)21-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,22,23,24)
InChIKeyHHYCGLPRQDCBJD-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(3-phenylpropanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 87646961
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
3-methyl-4-(propylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 63213934
N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3,4-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3884704
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
4-methyl-3-nitro-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361103

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide (CID 175248146) is 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(C(=O)Nc2nccs2)ccc1NCCCc1ccccc1.
What is the InChIKey of 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is HHYCGLPRQDCBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-15-14-17(19(24)23-20-22-12-13-25-20)9-10-18(15)21-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,22,23,24).
What are the key properties of 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide?
3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 351.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-phenylpropylamino)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 175248146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).