2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C13H18N2O2S — CID 111697089

IUPAC2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCCc1nc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)cs1
InChIInChI=1S/C13H18N2O2S/c1-2-13-15-11(8-18-13)6-12(17)14-10-4-3-9(5-10)7-16/h3-4,8-10,16H,2,5-7H2,1H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyISWNVKSJHDFIOW-VHSXEESVSA-N
MW266.37 g/mol
LogP1.30
Rot. Bonds5

About 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 111697089) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID111697089
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCCc1nc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)cs1
InChIInChI=1S/C13H18N2O2S/c1-2-13-15-11(8-18-13)6-12(17)14-10-4-3-9(5-10)7-16/h3-4,8-10,16H,2,5-7H2,1H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyISWNVKSJHDFIOW-VHSXEESVSA-N
XLogP1.30
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.30
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

(1S,6S)-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohex-3-ene-1-carboxamide
CID 164640786
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]urea
CID 132383494
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(6R)-6-hydroxycyclohex-3-en-1-yl]acetamide
CID 141530361
(5R,8S,11S)-11-[(E)-4-hydroxybut-1-enyl]-5-methyl-8-propan-2-yl-3,17-dithia-7,10,14,19,20-pentazatricyclo[14.2.1.12,5]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
CID 164550793
N-(1-hydroxybutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43390385
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 61247209
N-(3-hydroxy-2-methylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 65036912
N-[(2-hydroxycyclopentyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 65834981
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 65925577
N-[(3-hydroxycyclobutyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 65973076
N-(4-hydroxy-2-methylbutyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 66108996
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71917932

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 111697089) is 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is CCc1nc(CC(=O)N[C@@H]2C=C[C@H](CO)C2)cs1.
What is the InChIKey of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is ISWNVKSJHDFIOW-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-13-15-11(8-18-13)6-12(17)14-10-4-3-9(5-10)7-16/h3-4,8-10,16H,2,5-7H2,1H3,(H,14,17)/t9-,10+/m0/s1.
What are the key properties of 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 111697089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).