2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide

C20H20N4O3S — CID 84560141

IUPAC2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1cccnc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c1-2-11-27-16-9-6-10-21-18(16)24-19(26)15-13-28-20(22-15)23-17(25)12-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,21,24,26)(H,22,23,25)
InChIKeyNOBFCKHQPADIFU-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.76
Rot. Bonds8

About 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide

2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 84560141) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID84560141
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCCOc1cccnc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H20N4O3S/c1-2-11-27-16-9-6-10-21-18(16)24-19(26)15-13-28-20(22-15)23-17(25)12-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,21,24,26)(H,22,23,25)
InChIKeyNOBFCKHQPADIFU-UHFFFAOYSA-N
XLogP3.76
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
3-methyl-2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84555879
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
2-phenyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 3414920
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
N-(5-bromo-2-pyridinyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550840

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 84560141) is 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide is CCCOc1cccnc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NOBFCKHQPADIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-11-27-16-9-6-10-21-18(16)24-19(26)15-13-28-20(22-15)23-17(25)12-14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3,(H,21,24,26)(H,22,23,25).
What are the key properties of 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84560141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).