4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

C14H18N4OS2 — CID 116663483

IUPAC4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-17(2)14-16-12(15)11(21-14)13(19)18(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyGMLMUYAIYDUMPY-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.66
Rot. Bonds5

About 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116663483) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID116663483
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)N(Cc2cccs2)C2CC2)s1
InChIInChI=1S/C14H18N4OS2/c1-17(2)14-16-12(15)11(21-14)13(19)18(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8,15H2,1-2H3
InChIKeyGMLMUYAIYDUMPY-UHFFFAOYSA-N
XLogP2.66
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-ethyl-2-[ethyl(methyl)amino]-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663361
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
2-amino-N-cyclopropyl-6-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 81393720
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 62766334
N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62242780
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 116663483) is 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)N(Cc2cccs2)C2CC2)s1.
What is the InChIKey of 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GMLMUYAIYDUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-17(2)14-16-12(15)11(21-14)13(19)18(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).