N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

C13H12ClN3O2S — CID 134439067

IUPACN-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)c(-c2ncc(CO)s2)cn1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-11(17-12(19)7-1-2-7)15-5-9(10)13-16-4-8(6-18)20-13/h3-5,7,18H,1-2,6H2,(H,15,17,19)
InChIKeyWJOQBZOXRCOZQB-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.70
Rot. Bonds4

About N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 134439067) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID134439067
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC NameN-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(Cl)c(-c2ncc(CO)s2)cn1)C1CC1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-11(17-12(19)7-1-2-7)15-5-9(10)13-16-4-8(6-18)20-13/h3-5,7,18H,1-2,6H2,(H,15,17,19)
InChIKeyWJOQBZOXRCOZQB-UHFFFAOYSA-N
XLogP2.70
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 134439067) is N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is O=C(Nc1cc(Cl)c(-c2ncc(CO)s2)cn1)C1CC1.
What is the InChIKey of N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is WJOQBZOXRCOZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-3-11(17-12(19)7-1-2-7)15-5-9(10)13-16-4-8(6-18)20-13/h3-5,7,18H,1-2,6H2,(H,15,17,19).
What are the key properties of N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 309.78 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 134439067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).