4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide

C17H22ClN5OS — CID 142919023

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)sc1C
InChIInChI=1S/C17H22ClN5OS/c1-4-14-12(3)25-16(20-14)21-17(24)23-9-8-22(10-11(23)2)15-13(18)6-5-7-19-15/h5-7,11H,4,8-10H2,1-3H3,(H,20,21,24)
InChIKeyKPSMCUILUCEQHR-UHFFFAOYSA-N
MW379.92 g/mol
LogP3.80
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide (PubChem CID 142919023) has the molecular formula C17H22ClN5OS and a molecular weight of 379.92 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide
PubChem CID142919023
Molecular FormulaC17H22ClN5OS
Molecular Weight379.92 g/mol
Exact Mass379.12
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide
SMILESCCc1nc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)sc1C
InChIInChI=1S/C17H22ClN5OS/c1-4-14-12(3)25-16(20-14)21-17(24)23-9-8-22(10-11(23)2)15-13(18)6-5-7-19-15/h5-7,11H,4,8-10H2,1-3H3,(H,20,21,24)
InChIKeyKPSMCUILUCEQHR-UHFFFAOYSA-N
XLogP3.80
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.92
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide (CID 142919023) is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide is CCc1nc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)sc1C.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide?
The InChIKey is KPSMCUILUCEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OS/c1-4-14-12(3)25-16(20-14)21-17(24)23-9-8-22(10-11(23)2)15-13(18)6-5-7-19-15/h5-7,11H,4,8-10H2,1-3H3,(H,20,21,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide has a molecular weight of 379.92 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 142919023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).