N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

C12H12N2OS2 — CID 55143244

IUPACN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H12N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6-8,10H,1-2,5H2
InChIKeyNIKGAYYCOPPMAN-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.01
Rot. Bonds4

About N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 55143244) has the molecular formula C12H12N2OS2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID55143244
Molecular FormulaC12H12N2OS2
Molecular Weight264.37 g/mol
Exact Mass264.04
IUPAC NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H12N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6-8,10H,1-2,5H2
InChIKeyNIKGAYYCOPPMAN-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 48573949
1,3-Thiazol-4-yl-[2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97472737
[(3aS,6aS)-1-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 97508565
2-(1,3-Thiazol-4-yl)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 138034147
N-cyclopropyl-N-(2,2-difluoroethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 53596639
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 86997213
N-(cyclopropylmethyl)-N-propan-2-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 40149808
N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8242092
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8243329
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8344690
N-[2-(dimethylamino)-2-oxoethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8346155
Piperidin-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 8868834

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 55143244) is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NIKGAYYCOPPMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6-8,10H,1-2,5H2.
What are the key properties of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55143244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).