N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H17N5OS2 — CID 90597429

IUPACN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccs2)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H17N5OS2/c22-15(13-10-12(19-20-13)14-2-1-8-23-14)18-11-3-6-21(7-4-11)16-17-5-9-24-16/h1-2,5,8-11H,3-4,6-7H2,(H,18,22)(H,19,20)
InChIKeyKCAUXBRUDQBBLI-UHFFFAOYSA-N
MW359.48 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 90597429) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID90597429
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC NameN-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCN(c2nccs2)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H17N5OS2/c22-15(13-10-12(19-20-13)14-2-1-8-23-14)18-11-3-6-21(7-4-11)16-17-5-9-24-16/h1-2,5,8-11H,3-4,6-7H2,(H,18,22)(H,19,20)
InChIKeyKCAUXBRUDQBBLI-UHFFFAOYSA-N
XLogP2.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119474401
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
CID 138992263
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
2-methylsulfanyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91632025
4-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528390
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 90597173
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067
4-(4-fluorophenyl)-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 91818062

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 90597429) is N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NC1CCN(c2nccs2)CC1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KCAUXBRUDQBBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c22-15(13-10-12(19-20-13)14-2-1-8-23-14)18-11-3-6-21(7-4-11)16-17-5-9-24-16/h1-2,5,8-11H,3-4,6-7H2,(H,18,22)(H,19,20).
What are the key properties of N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90597429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).