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

C14H22N4OS — CID 106174519

IUPAC4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCCC2=CCCC2)s1
InChIInChI=1S/C14H22N4OS/c1-3-18(2)14-17-12(15)11(20-14)13(19)16-9-8-10-6-4-5-7-10/h6H,3-5,7-9,15H2,1-2H3,(H,16,19)
InChIKeyKCRISDBJCPSQIP-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.41
Rot. Bonds6

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

4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 106174519) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID106174519
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCN(C)c1nc(N)c(C(=O)NCCC2=CCCC2)s1
InChIInChI=1S/C14H22N4OS/c1-3-18(2)14-17-12(15)11(20-14)13(19)16-9-8-10-6-4-5-7-10/h6H,3-5,7-9,15H2,1-2H3,(H,16,19)
InChIKeyKCRISDBJCPSQIP-UHFFFAOYSA-N
XLogP2.41
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.41
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-2-[ethyl(methyl)amino]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665962
2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 106175161
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116673262
4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
CID 116671855
4-amino-2-[ethyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-1,3-thiazole-5-carboxamide
CID 116671772
4-amino-2-[ethyl(methyl)amino]-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670888
4-amino-N-(2-ethoxypropyl)-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116672975
4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663802
4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide (CID 106174519) is 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is CCN(C)c1nc(N)c(C(=O)NCCC2=CCCC2)s1.
What is the InChIKey of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is KCRISDBJCPSQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-18(2)14-17-12(15)11(20-14)13(19)16-9-8-10-6-4-5-7-10/h6H,3-5,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106174519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).