N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

C19H18N4O3S2 — CID 84560154

IUPACN-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)c2csc(NC(=O)CCc3ccccc3)n2)s1
InChIInChI=1S/C19H18N4O3S2/c1-11-9-13(16(20)25)18(28-11)23-17(26)14-10-27-19(21-14)22-15(24)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,25)(H,23,26)(H,21,22,24)
InChIKeyGOPIJPHWMCTWIQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.44
Rot. Bonds7

About N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 84560154) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
PubChem CID84560154
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC NameN-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)c2csc(NC(=O)CCc3ccccc3)n2)s1
InChIInChI=1S/C19H18N4O3S2/c1-11-9-13(16(20)25)18(28-11)23-17(26)14-10-27-19(21-14)22-15(24)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,25)(H,23,26)(H,21,22,24)
InChIKeyGOPIJPHWMCTWIQ-UHFFFAOYSA-N
XLogP3.44
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

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
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551045
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550912
N-(2-chloro-4-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550916
N-(2-methyl-3-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551093
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (CID 84560154) is N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is Cc1cc(C(N)=O)c(NC(=O)c2csc(NC(=O)CCc3ccccc3)n2)s1.
What is the InChIKey of N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is GOPIJPHWMCTWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c1-11-9-13(16(20)25)18(28-11)23-17(26)14-10-27-19(21-14)22-15(24)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H2,20,25)(H,23,26)(H,21,22,24).
What are the key properties of N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84560154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).