2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

C12H15N3OS2 — CID 79494174

IUPAC2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C12H15N3OS2/c1-8(6-9-4-3-5-17-9)15(2)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyFOEOIYNNYRGJEO-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 79494174) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID79494174
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC Name2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(Cc1cccs1)N(C)C(=O)c1csc(N)n1
InChIInChI=1S/C12H15N3OS2/c1-8(6-9-4-3-5-17-9)15(2)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14)
InChIKeyFOEOIYNNYRGJEO-UHFFFAOYSA-N
XLogP2.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 55115786
6-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 113323652
2-amino-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788598
4-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79470906
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
4-amino-N,1-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-5-carboxamide
CID 79469954
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
3-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide
CID 79494414
2-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103755734
4-hydrazinyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79487999
2-[4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 79488944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 79494174) is 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is CC(Cc1cccs1)N(C)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FOEOIYNNYRGJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-8(6-9-4-3-5-17-9)15(2)11(16)10-7-18-12(13)14-10/h3-5,7-8H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 79494174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).