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

C14H15ClN2O2S — CID 146149973

IUPAC5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1cc(O)c(Cl)cc1C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-11(18)10(15)7-9(8)12(19)17-14(2,3)13-16-4-5-20-13/h4-7,18H,1-3H3,(H,17,19)
InChIKeyRPYUAPKLQXBNFT-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.48
Rot. Bonds3

About 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide

5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (PubChem CID 146149973) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
PubChem CID146149973
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
SMILESCc1cc(O)c(Cl)cc1C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-11(18)10(15)7-9(8)12(19)17-14(2,3)13-16-4-5-20-13/h4-7,18H,1-3H3,(H,17,19)
InChIKeyRPYUAPKLQXBNFT-UHFFFAOYSA-N
XLogP3.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 103865536
2,5-dibromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 104919793
3-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyridine-4-carboxamide
CID 114131562
2-bromo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-3-carboxamide
CID 107091806
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
6-oxo-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113236974
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
CID 166224655
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The IUPAC name of 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide (CID 146149973) is 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is Cc1cc(O)c(Cl)cc1C(=O)NC(C)(C)c1nccs1.
What is the InChIKey of 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
The InChIKey is RPYUAPKLQXBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8-6-11(18)10(15)7-9(8)12(19)17-14(2,3)13-16-4-5-20-13/h4-7,18H,1-3H3,(H,17,19).
What are the key properties of 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide?
5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide has a molecular weight of 310.81 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 146149973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).