N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C13H14ClN3O2S — CID 110004592

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NC(CO)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-17-11(7-20-13)12(19)16-10(6-18)8-2-4-9(14)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,15,17)(H,16,19)
InChIKeyJINHXTHIYQYBPE-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 110004592) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID110004592
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NC(CO)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H14ClN3O2S/c1-15-13-17-11(7-20-13)12(19)16-10(6-18)8-2-4-9(14)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,15,17)(H,16,19)
InChIKeyJINHXTHIYQYBPE-UHFFFAOYSA-N
XLogP2.30
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 103772744
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 97328744
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 110004599
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N-butan-2-yl-2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948615
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119699944
2-[(4-chlorobenzoyl)amino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16915079

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 110004592) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)NC(CO)c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is JINHXTHIYQYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-15-13-17-11(7-20-13)12(19)16-10(6-18)8-2-4-9(14)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,15,17)(H,16,19).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110004592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).