N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

C12H17N3O2S — CID 117094071

IUPACN-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(N2CCCC2CO)n1
InChIInChI=1S/C12H17N3O2S/c16-6-9-2-1-5-15(9)12-14-10(7-18-12)11(17)13-8-3-4-8/h7-9,16H,1-6H2,(H,13,17)
InChIKeyJNSALMKIDJNXPE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.00
Rot. Bonds4

About N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 117094071) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID117094071
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(N2CCCC2CO)n1
InChIInChI=1S/C12H17N3O2S/c16-6-9-2-1-5-15(9)12-14-10(7-18-12)11(17)13-8-3-4-8/h7-9,16H,1-6H2,(H,13,17)
InChIKeyJNSALMKIDJNXPE-UHFFFAOYSA-N
XLogP1.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide (CID 117094071) is N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(N2CCCC2CO)n1.
What is the InChIKey of N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JNSALMKIDJNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-6-9-2-1-5-15(9)12-14-10(7-18-12)11(17)13-8-3-4-8/h7-9,16H,1-6H2,(H,13,17).
What are the key properties of N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117094071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).