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

C13H18N2O2S — CID 110016376

IUPACN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCc1nc(C2CC2)cs1)C1CCCC1O
InChIInChI=1S/C13H18N2O2S/c16-11-3-1-2-9(11)13(17)14-6-12-15-10(7-18-12)8-4-5-8/h7-9,11,16H,1-6H2,(H,14,17)
InChIKeyYRJNNUDQILDUFZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.80
Rot. Bonds4

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

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016376) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016376
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCc1nc(C2CC2)cs1)C1CCCC1O
InChIInChI=1S/C13H18N2O2S/c16-11-3-1-2-9(11)13(17)14-6-12-15-10(7-18-12)8-4-5-8/h7-9,11,16H,1-6H2,(H,14,17)
InChIKeyYRJNNUDQILDUFZ-UHFFFAOYSA-N
XLogP1.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide (CID 110016376) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is O=C(NCc1nc(C2CC2)cs1)C1CCCC1O.
What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is YRJNNUDQILDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-11-3-1-2-9(11)13(17)14-6-12-15-10(7-18-12)8-4-5-8/h7-9,11,16H,1-6H2,(H,14,17).
What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide?
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).