N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C18H18N4O2S2 — CID 38197538

IUPACN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H18N4O2S2/c1-11(2)19-18(24)21-13-7-5-12(6-8-13)20-16(23)14-10-26-17(22-14)15-4-3-9-25-15/h3-11H,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyFEGQDHQICOXQLG-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.65
Rot. Bonds5

About N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 38197538) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID38197538
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C18H18N4O2S2/c1-11(2)19-18(24)21-13-7-5-12(6-8-13)20-16(23)14-10-26-17(22-14)15-4-3-9-25-15/h3-11H,1-2H3,(H,20,23)(H2,19,21,24)
InChIKeyFEGQDHQICOXQLG-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
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N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55907163
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 38197538) is N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FEGQDHQICOXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11(2)19-18(24)21-13-7-5-12(6-8-13)20-16(23)14-10-26-17(22-14)15-4-3-9-25-15/h3-11H,1-2H3,(H,20,23)(H2,19,21,24).
What are the key properties of N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38197538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).