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

C16H19N7OS — CID 75463651

IUPAC[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cnn(C2CCN(C(=O)c3sc(-c4ncn[nH]4)nc3C)CC2)c1
InChIInChI=1S/C16H19N7OS/c1-10-7-19-23(8-10)12-3-5-22(6-4-12)16(24)13-11(2)20-15(25-13)14-17-9-18-21-14/h7-9,12H,3-6H2,1-2H3,(H,17,18,21)
InChIKeyXRIMIIAVUNEGJE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.22
Rot. Bonds3

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

[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 75463651) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
PubChem CID75463651
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC Name[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cnn(C2CCN(C(=O)c3sc(-c4ncn[nH]4)nc3C)CC2)c1
InChIInChI=1S/C16H19N7OS/c1-10-7-19-23(8-10)12-3-5-22(6-4-12)16(24)13-11(2)20-15(25-13)14-17-9-18-21-14/h7-9,12H,3-6H2,1-2H3,(H,17,18,21)
InChIKeyXRIMIIAVUNEGJE-UHFFFAOYSA-N
XLogP2.22
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carbonyl]piperidine-2-carboxylic acid
CID 124577058
[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
CID 56802649
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 75463650
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-5-yl)methanone
CID 166253150
1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900489
(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119375760
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone (CID 75463651) is [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone is Cc1cnn(C2CCN(C(=O)c3sc(-c4ncn[nH]4)nc3C)CC2)c1.
What is the InChIKey of [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XRIMIIAVUNEGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-10-7-19-23(8-10)12-3-5-22(6-4-12)16(24)13-11(2)20-15(25-13)14-17-9-18-21-14/h7-9,12H,3-6H2,1-2H3,(H,17,18,21).
What are the key properties of [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone?
[4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 357.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 75463651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).