4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide

C15H16ClN3O2S — CID 4827689

IUPAC4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
SMILESCc1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O2S/c1-10-9-22-15(18-10)19-13(20)3-2-8-17-14(21)11-4-6-12(16)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUPCAZQYDQPJMFE-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.25
Rot. Bonds6

About 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide (PubChem CID 4827689) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
PubChem CID4827689
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
SMILESCc1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C15H16ClN3O2S/c1-10-9-22-15(18-10)19-13(20)3-2-8-17-14(21)11-4-6-12(16)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyUPCAZQYDQPJMFE-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide (CID 4827689) is 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide is Cc1csc(NC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
The InChIKey is UPCAZQYDQPJMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-10-9-22-15(18-10)19-13(20)3-2-8-17-14(21)11-4-6-12(16)7-5-11/h4-7,9H,2-3,8H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide has a molecular weight of 337.83 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 4827689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).