N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C15H22N2O2S — CID 111661448

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H22N2O2S/c1-9(2)6-13-16-10(3)14(20-13)15(19)17-12-5-4-11(7-12)8-18/h4-5,9,11-12,18H,6-8H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyKCEMCFGQHYURKJ-NWDGAFQWSA-N
MW294.42 g/mol
LogP2.32
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 111661448) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID111661448
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(CC(C)C)sc1C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H22N2O2S/c1-9(2)6-13-16-10(3)14(20-13)15(19)17-12-5-4-11(7-12)8-18/h4-5,9,11-12,18H,6-8H2,1-3H3,(H,17,19)/t11-,12+/m0/s1
InChIKeyKCEMCFGQHYURKJ-NWDGAFQWSA-N
XLogP2.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.32
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 N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 111661448) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(CC(C)C)sc1C(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KCEMCFGQHYURKJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-9(2)6-13-16-10(3)14(20-13)15(19)17-12-5-4-11(7-12)8-18/h4-5,9,11-12,18H,6-8H2,1-3H3,(H,17,19)/t11-,12+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111661448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).