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

C14H14ClN3O2S — CID 2523205

IUPAC2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3O2S/c1-9-8-21-14(17-9)18-12(19)6-7-16-13(20)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGXQYYMVUMGEDLC-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.86
Rot. Bonds5

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

2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (PubChem CID 2523205) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
PubChem CID2523205
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
SMILESCc1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H14ClN3O2S/c1-9-8-21-14(17-9)18-12(19)6-7-16-13(20)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyGXQYYMVUMGEDLC-UHFFFAOYSA-N
XLogP2.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide (CID 2523205) is 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is Cc1csc(NC(=O)CCNC(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is GXQYYMVUMGEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-9-8-21-14(17-9)18-12(19)6-7-16-13(20)10-4-2-3-5-11(10)15/h2-5,8H,6-7H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 323.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2523205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).