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

C18H15N3O2S2 — CID 41266351

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H15N3O2S2/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23)
InChIKeyJTDHGBBORXTJKX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.47
Rot. Bonds5

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

N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 41266351) has the molecular formula C18H15N3O2S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID41266351
Molecular FormulaC18H15N3O2S2
Molecular Weight369.47 g/mol
Exact Mass369.06
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H15N3O2S2/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23)
InChIKeyJTDHGBBORXTJKX-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-[4-(cyclopropanecarbonylamino)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36817379
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41266388
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 51958863

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 41266351) is N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is JTDHGBBORXTJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2/c22-16(11-3-4-11)19-12-5-7-13(8-6-12)20-17(23)14-10-25-18(21-14)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,19,22)(H,20,23).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41266351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).