[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H22N4OS — CID 129427690

IUPAC[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C17H22N4OS/c1-11-10-23-16(19-11)15-5-3-4-6-21(15)17(22)14-7-13(14)12-8-18-20(2)9-12/h8-10,13-15H,3-7H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyFQLBPPYFMVRKPR-ZNMIVQPWSA-N
MW330.46 g/mol
LogP3.04
Rot. Bonds3

About [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 129427690) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID129427690
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C17H22N4OS/c1-11-10-23-16(19-11)15-5-3-4-6-21(15)17(22)14-7-13(14)12-8-18-20(2)9-12/h8-10,13-15H,3-7H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyFQLBPPYFMVRKPR-ZNMIVQPWSA-N
XLogP3.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 129427690) is [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1csc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is FQLBPPYFMVRKPR-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-10-23-16(19-11)15-5-3-4-6-21(15)17(22)14-7-13(14)12-8-18-20(2)9-12/h8-10,13-15H,3-7H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 330.46 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129427690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).