N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C20H30N6OS — CID 25282915

IUPACN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C20H30N6OS/c1-24(2)20-21-13-17(28-20)14-25-11-8-16(9-12-25)26-18(7-10-22-26)23-19(27)15-5-3-4-6-15/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyRDQNZHFWSLVKHP-UHFFFAOYSA-N
MW402.57 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 25282915) has the molecular formula C20H30N6OS and a molecular weight of 402.57 g/mol. Its IUPAC name is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID25282915
Molecular FormulaC20H30N6OS
Molecular Weight402.57 g/mol
Exact Mass402.22
IUPAC NameN-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1
InChIInChI=1S/C20H30N6OS/c1-24(2)20-21-13-17(28-20)14-25-11-8-16(9-12-25)26-18(7-10-22-26)23-19(27)15-5-3-4-6-15/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyRDQNZHFWSLVKHP-UHFFFAOYSA-N
XLogP3.37
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 25282915) is N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CN(C)c1ncc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)s1.
What is the InChIKey of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is RDQNZHFWSLVKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6OS/c1-24(2)20-21-13-17(28-20)14-25-11-8-16(9-12-25)26-18(7-10-22-26)23-19(27)15-5-3-4-6-15/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 402.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 25282915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).