N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide

C9H10N2OS2 — CID 1245366

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)cs1
InChIInChI=1S/C9H10N2OS2/c1-6-4-7(5-14-6)8(12)11-9-10-2-3-13-9/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyMESYCVOFSOUXRI-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.89
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1245366) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID1245366
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC2=NCCS2)cs1
InChIInChI=1S/C9H10N2OS2/c1-6-4-7(5-14-6)8(12)11-9-10-2-3-13-9/h4-5H,2-3H2,1H3,(H,10,11,12)
InChIKeyMESYCVOFSOUXRI-UHFFFAOYSA-N
XLogP1.89
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide (CID 1245366) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NC2=NCCS2)cs1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is MESYCVOFSOUXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-6-4-7(5-14-6)8(12)11-9-10-2-3-13-9/h4-5H,2-3H2,1H3,(H,10,11,12).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 226.33 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1245366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).