3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide

C12H15N3OS2 — CID 32991237

IUPAC3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1sccc1C
InChIInChI=1S/C12H15N3OS2/c1-7-4-5-17-9(7)6-14-11(16)10-8(2)15-18-12(10)13-3/h4-5,13H,6H2,1-3H3,(H,14,16)
InChIKeyJSKSULIHSDIONX-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.79
Rot. Bonds4

About 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 32991237) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID32991237
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1sccc1C
InChIInChI=1S/C12H15N3OS2/c1-7-4-5-17-9(7)6-14-11(16)10-8(2)15-18-12(10)13-3/h4-5,13H,6H2,1-3H3,(H,14,16)
InChIKeyJSKSULIHSDIONX-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(methylamino)-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 51078992
5-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 47163642
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34660130
3-methyl-5-(methylamino)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 134024210
3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
CID 42044523
4,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 50969529
3-hydroxy-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78990763
3-fluoro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 105386926
2-amino-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 119280432
3-methyl-5-(methylamino)-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 27449400
5-chloro-2-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114924109
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111486696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide (CID 32991237) is 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCc1sccc1C.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is JSKSULIHSDIONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-7-4-5-17-9(7)6-14-11(16)10-8(2)15-18-12(10)13-3/h4-5,13H,6H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 32991237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).