(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C14H17BrN4OS — CID 139006333

IUPAC(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)s1
InChIInChI=1S/C14H17BrN4OS/c1-8-7-16-13(21-8)10-3-5-19(6-4-10)14(20)12-11(15)9(2)17-18-12/h7,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyPKIVZXFZAPOWLE-UHFFFAOYSA-N
MW369.29 g/mol
LogP3.27
Rot. Bonds2

About (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 139006333) has the molecular formula C14H17BrN4OS and a molecular weight of 369.29 g/mol. Its IUPAC name is (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID139006333
Molecular FormulaC14H17BrN4OS
Molecular Weight369.29 g/mol
Exact Mass368.03
IUPAC Name(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)s1
InChIInChI=1S/C14H17BrN4OS/c1-8-7-16-13(21-8)10-3-5-19(6-4-10)14(20)12-11(15)9(2)17-18-12/h7,10H,3-6H2,1-2H3,(H,17,18)
InChIKeyPKIVZXFZAPOWLE-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 139006333) is (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2CCN(C(=O)c3n[nH]c(C)c3Br)CC2)s1.
What is the InChIKey of (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PKIVZXFZAPOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4OS/c1-8-7-16-13(21-8)10-3-5-19(6-4-10)14(20)12-11(15)9(2)17-18-12/h7,10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 369.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139006333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).