N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide

C12H18N2O2S — CID 110016053

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1nc(CNC(=O)C2CCCC2O)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-8(2)17-11(14-7)6-13-12(16)9-4-3-5-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyXJWGBTQFQLLAMG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.54
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016053) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016053
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1nc(CNC(=O)C2CCCC2O)sc1C
InChIInChI=1S/C12H18N2O2S/c1-7-8(2)17-11(14-7)6-13-12(16)9-4-3-5-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyXJWGBTQFQLLAMG-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110016053) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is Cc1nc(CNC(=O)C2CCCC2O)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is XJWGBTQFQLLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-7-8(2)17-11(14-7)6-13-12(16)9-4-3-5-10(9)15/h9-10,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).