3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide

C16H19ClN4OS — CID 134068465

IUPAC3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CNNC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4OS/c1-10-20-11(9-23-10)6-7-18-16(22)13-8-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9,13,15,19,21H,6-8H2,1H3,(H,18,22)
InChIKeyKKYKKDHGIAHNCU-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.23
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide

3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide (PubChem CID 134068465) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide
PubChem CID134068465
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CNNC2c2ccccc2Cl)cs1
InChIInChI=1S/C16H19ClN4OS/c1-10-20-11(9-23-10)6-7-18-16(22)13-8-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9,13,15,19,21H,6-8H2,1H3,(H,18,22)
InChIKeyKKYKKDHGIAHNCU-UHFFFAOYSA-N
XLogP2.23
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
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3-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide (CID 134068465) is 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide is Cc1nc(CCNC(=O)C2CNNC2c2ccccc2Cl)cs1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide?
The InChIKey is KKYKKDHGIAHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-10-20-11(9-23-10)6-7-18-16(22)13-8-19-21-15(13)12-4-2-3-5-14(12)17/h2-5,9,13,15,19,21H,6-8H2,1H3,(H,18,22).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide?
3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide has a molecular weight of 350.88 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134068465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).