N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide

C16H19N5O2S — CID 3793078

IUPACN-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N5O2S/c1-11(2)18-16(23)21-8-4-7-20(21)15(22)13-10-24-14(19-13)12-5-3-6-17-9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)
InChIKeyCPMZKTRCHFBJKL-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.39
Rot. Bonds3

About N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide

N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 3793078) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
PubChem CID3793078
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H19N5O2S/c1-11(2)18-16(23)21-8-4-7-20(21)15(22)13-10-24-14(19-13)12-5-3-6-17-9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23)
InChIKeyCPMZKTRCHFBJKL-UHFFFAOYSA-N
XLogP2.39
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (CID 3793078) is N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is CC(C)NC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is CPMZKTRCHFBJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-11(2)18-16(23)21-8-4-7-20(21)15(22)13-10-24-14(19-13)12-5-3-6-17-9-12/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,18,23).
What are the key properties of N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3793078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).