N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

C14H15ClN4O2S — CID 171686952

IUPACN-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2csc(NC)n2)c1
InChIInChI=1S/C14H15ClN4O2S/c1-3-12(20)17-8-4-5-9(15)10(6-8)18-13(21)11-7-22-14(16-2)19-11/h4-7H,3H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyBQUPMXPZAMPFRZ-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.44
Rot. Bonds5

About N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide

N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 171686952) has the molecular formula C14H15ClN4O2S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID171686952
Molecular FormulaC14H15ClN4O2S
Molecular Weight338.82 g/mol
Exact Mass338.06
IUPAC NameN-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)c2csc(NC)n2)c1
InChIInChI=1S/C14H15ClN4O2S/c1-3-12(20)17-8-4-5-9(15)10(6-8)18-13(21)11-7-22-14(16-2)19-11/h4-7H,3H2,1-2H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyBQUPMXPZAMPFRZ-UHFFFAOYSA-N
XLogP3.44
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
2-(4-methylphenyl)-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 46478243
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
N-[4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]phenyl]propanamide
CID 79420664
N-[2-chloro-5-(propanoylamino)phenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 55799419
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201
N-[2-chloro-5-(propanoylamino)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55799328
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164379
N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 978365
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-[4-chloro-3-(prop-2-ynylamino)phenyl]propanamide
CID 63952872

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 171686952) is N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)c2csc(NC)n2)c1.
What is the InChIKey of N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is BQUPMXPZAMPFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2S/c1-3-12(20)17-8-4-5-9(15)10(6-8)18-13(21)11-7-22-14(16-2)19-11/h4-7H,3H2,1-2H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide?
N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(propanoylamino)phenyl]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171686952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).