2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C19H17ClN2OS — CID 998058

IUPAC2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-12(2)13-7-9-14(10-8-13)17-11-24-19(21-17)22-18(23)15-5-3-4-6-16(15)20/h3-12H,1-2H3,(H,21,22,23)
InChIKeyINDVEOCEORMTFI-UHFFFAOYSA-N
MW356.88 g/mol
LogP5.84
Rot. Bonds4

About 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 998058) has the molecular formula C19H17ClN2OS and a molecular weight of 356.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID998058
Molecular FormulaC19H17ClN2OS
Molecular Weight356.88 g/mol
Exact Mass356.08
IUPAC Name2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2OS/c1-12(2)13-7-9-14(10-8-13)17-11-24-19(21-17)22-18(23)15-5-3-4-6-16(15)20/h3-12H,1-2H3,(H,21,22,23)
InChIKeyINDVEOCEORMTFI-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 998058) is 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CC(C)c1ccc(-c2csc(NC(=O)c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is INDVEOCEORMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS/c1-12(2)13-7-9-14(10-8-13)17-11-24-19(21-17)22-18(23)15-5-3-4-6-16(15)20/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 356.88 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 998058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).