4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide

C19H25N5O2S — CID 47543064

IUPAC4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide
SMILESCc1csc(N2CCCN(C(C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2S/c1-13-12-27-19(21-13)24-9-3-8-23(10-11-24)14(2)18(26)22-16-6-4-15(5-7-16)17(20)25/h4-7,12,14H,3,8-11H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyOPNVZRUBMTVNGO-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.09
Rot. Bonds5

About 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide

4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide (PubChem CID 47543064) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide
PubChem CID47543064
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide
SMILESCc1csc(N2CCCN(C(C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C19H25N5O2S/c1-13-12-27-19(21-13)24-9-3-8-23(10-11-24)14(2)18(26)22-16-6-4-15(5-7-16)17(20)25/h4-7,12,14H,3,8-11H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyOPNVZRUBMTVNGO-UHFFFAOYSA-N
XLogP2.09
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47542745
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
CID 71930636
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 94162134
4-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanoylamino]benzamide
CID 55682733
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
N-benzyl-N-ethyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 47706614
4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
CID 55628105
2-methyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 810330
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 52503740

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide?
The IUPAC name of 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide (CID 47543064) is 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide is Cc1csc(N2CCCN(C(C)C(=O)Nc3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide?
The InChIKey is OPNVZRUBMTVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-13-12-27-19(21-13)24-9-3-8-23(10-11-24)14(2)18(26)22-16-6-4-15(5-7-16)17(20)25/h4-7,12,14H,3,8-11H2,1-2H3,(H2,20,25)(H,22,26).
What are the key properties of 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide?
4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 47543064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).