N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C21H23N5OS — CID 91631983

IUPACN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5OS/c27-20(18-13-28-21(23-18)15-4-2-1-3-5-15)22-16-8-10-26(11-9-16)19-12-17(24-25-19)14-6-7-14/h1-5,12-14,16H,6-11H2,(H,22,27)(H,24,25)
InChIKeyJEJGPRFLGVMLRN-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.81
Rot. Bonds5

About N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 91631983) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID91631983
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC NameN-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C21H23N5OS/c27-20(18-13-28-21(23-18)15-4-2-1-3-5-15)22-16-8-10-26(11-9-16)19-12-17(24-25-19)14-6-7-14/h1-5,12-14,16H,6-11H2,(H,22,27)(H,24,25)
InChIKeyJEJGPRFLGVMLRN-UHFFFAOYSA-N
XLogP3.81
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 91631983) is N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is JEJGPRFLGVMLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c27-20(18-13-28-21(23-18)15-4-2-1-3-5-15)22-16-8-10-26(11-9-16)19-12-17(24-25-19)14-6-7-14/h1-5,12-14,16H,6-11H2,(H,22,27)(H,24,25).
What are the key properties of N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91631983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).