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

C12H17N3OS — CID 106175161

IUPAC2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCC1=CCCC1
InChIInChI=1S/C12H17N3OS/c1-8-10(17-12(13)15-8)11(16)14-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUIYCIZLDDCSZGR-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.26
Rot. Bonds4

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

2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 106175161) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID106175161
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NCCC1=CCCC1
InChIInChI=1S/C12H17N3OS/c1-8-10(17-12(13)15-8)11(16)14-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H2,13,15)(H,14,16)
InChIKeyUIYCIZLDDCSZGR-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374794
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23772096
4-amino-N-[2-(cyclopenten-1-yl)ethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 106174519
3-amino-N-[2-(cyclopenten-1-yl)ethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106174239
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897441
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
2-amino-N-(2-ethoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794778
N-[2-(cyclohexen-1-yl)ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33229214
4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybutanoic acid
CID 107836028

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 106175161) is 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NCCC1=CCCC1.
What is the InChIKey of 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is UIYCIZLDDCSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8-10(17-12(13)15-8)11(16)14-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106175161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).