N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

C18H15ClN4O2S — CID 84551045

IUPACN-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(CCc1ccccc1)Nc1nc(C(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C18H15ClN4O2S/c19-13-7-8-15(20-10-13)22-17(25)14-11-26-18(21-14)23-16(24)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22,25)(H,21,23,24)
InChIKeyUKYRRJJMGKCTFL-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.02
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 84551045) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
PubChem CID84551045
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(CCc1ccccc1)Nc1nc(C(=O)Nc2ccc(Cl)cn2)cs1
InChIInChI=1S/C18H15ClN4O2S/c19-13-7-8-15(20-10-13)22-17(25)14-11-26-18(21-14)23-16(24)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22,25)(H,21,23,24)
InChIKeyUKYRRJJMGKCTFL-UHFFFAOYSA-N
XLogP4.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550840
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 16915593
2-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 84555961
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84560154
N-(2-chloro-4-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550916
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550912
2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazole-4-carboxylic acid
CID 82030624

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (CID 84551045) is N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is O=C(CCc1ccccc1)Nc1nc(C(=O)Nc2ccc(Cl)cn2)cs1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UKYRRJJMGKCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-13-7-8-15(20-10-13)22-17(25)14-11-26-18(21-14)23-16(24)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11H,6,9H2,(H,20,22,25)(H,21,23,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 386.86 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84551045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).