2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide

C14H21N3OS — CID 166301885

IUPAC2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
SMILESCc1cnc(C(C)(C)NC(=O)C[C@H]2C=C[C@@H](N)C2)s1
InChIInChI=1S/C14H21N3OS/c1-9-8-16-13(19-9)14(2,3)17-12(18)7-10-4-5-11(15)6-10/h4-5,8,10-11H,6-7,15H2,1-3H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyFBWLCXKLFQQWMP-WDEREUQCSA-N
MW279.41 g/mol
LogP2.10
Rot. Bonds4

About 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide

2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide (PubChem CID 166301885) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
PubChem CID166301885
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
SMILESCc1cnc(C(C)(C)NC(=O)C[C@H]2C=C[C@@H](N)C2)s1
InChIInChI=1S/C14H21N3OS/c1-9-8-16-13(19-9)14(2,3)17-12(18)7-10-4-5-11(15)6-10/h4-5,8,10-11H,6-7,15H2,1-3H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyFBWLCXKLFQQWMP-WDEREUQCSA-N
XLogP2.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide (CID 166301885) is 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide is Cc1cnc(C(C)(C)NC(=O)C[C@H]2C=C[C@@H](N)C2)s1.
What is the InChIKey of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide?
The InChIKey is FBWLCXKLFQQWMP-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-8-16-13(19-9)14(2,3)17-12(18)7-10-4-5-11(15)6-10/h4-5,8,10-11H,6-7,15H2,1-3H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide?
2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide has a molecular weight of 279.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-4-aminocyclopent-2-en-1-yl]-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 166301885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).