propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate

C16H18N4O3S — CID 3570099

IUPACpropyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O3S/c1-2-9-23-16(22)20-8-4-7-19(20)15(21)13-11-24-14(18-13)12-5-3-6-17-10-12/h3,5-6,10-11H,2,4,7-9H2,1H3
InChIKeyMCQQJYSXZVMXBM-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.81
Rot. Bonds4

About propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate

propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate (PubChem CID 3570099) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate
PubChem CID3570099
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Namepropyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C16H18N4O3S/c1-2-9-23-16(22)20-8-4-7-19(20)15(21)13-11-24-14(18-13)12-5-3-6-17-10-12/h3,5-6,10-11H,2,4,7-9H2,1H3
InChIKeyMCQQJYSXZVMXBM-UHFFFAOYSA-N
XLogP2.81
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3806511
N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3793078
3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide
CID 4989358
1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]pent-4-yn-1-one
CID 4999828
N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3530439
N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3438111
3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide
CID 4584985
4-[[3-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbonyl]-2-pyridinyl]sulfanyl]butanenitrile
CID 3366273
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate?
The IUPAC name of propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate (CID 3570099) is propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate.
What is the SMILES notation for propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate?
The canonical SMILES for propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate is CCCOC(=O)N1CCCN1C(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate?
The InChIKey is MCQQJYSXZVMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-2-9-23-16(22)20-8-4-7-19(20)15(21)13-11-24-14(18-13)12-5-3-6-17-10-12/h3,5-6,10-11H,2,4,7-9H2,1H3.
What are the key properties of propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate?
propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate is sourced from PubChem (CID 3570099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).