[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone

C15H19ClN4OS — CID 136545984

IUPAC[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncsc1C(=O)N1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C15H19ClN4OS/c1-10(2)13-14(22-9-17-13)15(21)19-5-3-12(4-6-19)20-8-11(16)7-18-20/h7-10,12H,3-6H2,1-2H3
InChIKeyZOVPUGDBADKDQQ-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.59
Rot. Bonds3

About [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone

[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 136545984) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID136545984
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCC(C)c1ncsc1C(=O)N1CCC(n2cc(Cl)cn2)CC1
InChIInChI=1S/C15H19ClN4OS/c1-10(2)13-14(22-9-17-13)15(21)19-5-3-12(4-6-19)20-8-11(16)7-18-20/h7-10,12H,3-6H2,1-2H3
InChIKeyZOVPUGDBADKDQQ-UHFFFAOYSA-N
XLogP3.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 136545984) is [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone is CC(C)c1ncsc1C(=O)N1CCC(n2cc(Cl)cn2)CC1.
What is the InChIKey of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is ZOVPUGDBADKDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-10(2)13-14(22-9-17-13)15(21)19-5-3-12(4-6-19)20-8-11(16)7-18-20/h7-10,12H,3-6H2,1-2H3.
What are the key properties of [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone?
[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 338.86 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(4-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 136545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).