N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C12H11N3OS3 — CID 16618746

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NC1=NCCS1
InChIInChI=1S/C12H11N3OS3/c1-7-9(10(16)15-12-13-4-6-18-12)19-11(14-7)8-3-2-5-17-8/h2-3,5H,4,6H2,1H3,(H,13,15,16)
InChIKeyOFVCWQLRHYJTDE-UHFFFAOYSA-N
MW309.44 g/mol
LogP3.01
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 16618746) has the molecular formula C12H11N3OS3 and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID16618746
Molecular FormulaC12H11N3OS3
Molecular Weight309.44 g/mol
Exact Mass309.01
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)NC1=NCCS1
InChIInChI=1S/C12H11N3OS3/c1-7-9(10(16)15-12-13-4-6-18-12)19-11(14-7)8-3-2-5-17-8/h2-3,5H,4,6H2,1H3,(H,13,15,16)
InChIKeyOFVCWQLRHYJTDE-UHFFFAOYSA-N
XLogP3.01
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 16618746) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OFVCWQLRHYJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS3/c1-7-9(10(16)15-12-13-4-6-18-12)19-11(14-7)8-3-2-5-17-8/h2-3,5H,4,6H2,1H3,(H,13,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16618746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).