4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

C12H18N4OS — CID 116673262

IUPAC4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC2CC=CC2)s1
InChIInChI=1S/C12H18N4OS/c1-3-16(2)12-15-10(13)9(18-12)11(17)14-8-6-4-5-7-8/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyOQWMNUQTWZQGOV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.63
Rot. Bonds4

About 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116673262) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116673262
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NC2CC=CC2)s1
InChIInChI=1S/C12H18N4OS/c1-3-16(2)12-15-10(13)9(18-12)11(17)14-8-6-4-5-7-8/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,17)
InChIKeyOQWMNUQTWZQGOV-UHFFFAOYSA-N
XLogP1.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(1,2-dimethylpiperidin-4-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116671810
4-amino-2-[ethyl(methyl)amino]-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670888
4-amino-N-(2,2-dimethylcyclohexyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116671252
4-amino-2-[ethyl(methyl)amino]-N-[(3-ethylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671637
4-amino-2-[ethyl(methyl)amino]-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667475
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-2-[ethyl(methyl)amino]-N-(2-methylsulfinylethyl)-1,3-thiazole-5-carboxamide
CID 116673226
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665962
4-amino-N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672001
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664584

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 116673262) is 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NC2CC=CC2)s1.
What is the InChIKey of 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is OQWMNUQTWZQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-3-16(2)12-15-10(13)9(18-12)11(17)14-8-6-4-5-7-8/h4-5,8H,3,6-7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).