4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

C17H21ClN4OS — CID 162643725

IUPAC4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C17H21ClN4OS/c1-12-4-5-14(10-15(12)18)21-6-3-7-22(9-8-21)17(23)20-16-19-11-13(2)24-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,23)
InChIKeyYDINYPNLAYEPEW-UHFFFAOYSA-N
MW364.90 g/mol
LogP4.16
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 162643725) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID162643725
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C17H21ClN4OS/c1-12-4-5-14(10-15(12)18)21-6-3-7-22(9-8-21)17(23)20-16-19-11-13(2)24-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,23)
InChIKeyYDINYPNLAYEPEW-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-quinazolin-6-ylpiperazine-1-carboxamide
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3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
4-(3-chloro-4-methylphenyl)-N-(5-chloro-1,3-thiazol-2-yl)-3-oxopiperazine-1-carboxamide
CID 162674207
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
4-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 47000207
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 1443705
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
4-(2-methyl-4-pyridinyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,4-diazepane-1-carboxamide
CID 30876977

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (CID 162643725) is 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is Cc1cnc(NC(=O)N2CCCN(c3ccc(C)c(Cl)c3)CC2)s1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is YDINYPNLAYEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-12-4-5-14(10-15(12)18)21-6-3-7-22(9-8-21)17(23)20-16-19-11-13(2)24-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,23).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 162643725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).