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

C17H20ClN3O2S — CID 74646134

IUPAC5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-11-3-2-6-21(8-11)9-13-10-24-17(19-13)20-16(23)14-7-12(18)4-5-15(14)22/h4-5,7,10-11,22H,2-3,6,8-9H2,1H3,(H,19,20,23)
InChIKeySRRSIWBOSAKFIN-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.99
Rot. Bonds4

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

5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 74646134) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID74646134
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
SMILESCC1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)C1
InChIInChI=1S/C17H20ClN3O2S/c1-11-3-2-6-21(8-11)9-13-10-24-17(19-13)20-16(23)14-7-12(18)4-5-15(14)22/h4-5,7,10-11,22H,2-3,6,8-9H2,1H3,(H,19,20,23)
InChIKeySRRSIWBOSAKFIN-UHFFFAOYSA-N
XLogP3.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 25489845
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46680161
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-6-carboxamide
CID 55823340
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
1-(4-chlorobenzoyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 24586666
2-ethoxy-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 35844295
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
2-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 46680066
5-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 24586725
2-(2,6-dichlorophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46679995
N-[2-[[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30823052

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide (CID 74646134) is 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is CC1CCCN(Cc2csc(NC(=O)c3cc(Cl)ccc3O)n2)C1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is SRRSIWBOSAKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-3-2-6-21(8-11)9-13-10-24-17(19-13)20-16(23)14-7-12(18)4-5-15(14)22/h4-5,7,10-11,22H,2-3,6,8-9H2,1H3,(H,19,20,23).
What are the key properties of 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide?
5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 365.89 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 74646134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).