1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide

C16H24N6OS — CID 172900070

IUPAC1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nc(C(C)C)ns3)C2)nn1C
InChIInChI=1S/C16H24N6OS/c1-10(2)14-18-16(24-20-14)22-7-5-6-12(9-22)17-15(23)13-8-11(3)21(4)19-13/h8,10,12H,5-7,9H2,1-4H3,(H,17,23)
InChIKeyVPBBAFXGGCPGEQ-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.10
Rot. Bonds4

About 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide

1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 172900070) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID172900070
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCCN(c3nc(C(C)C)ns3)C2)nn1C
InChIInChI=1S/C16H24N6OS/c1-10(2)14-18-16(24-20-14)22-7-5-6-12(9-22)17-15(23)13-8-11(3)21(4)19-13/h8,10,12H,5-7,9H2,1-4H3,(H,17,23)
InChIKeyVPBBAFXGGCPGEQ-UHFFFAOYSA-N
XLogP2.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 172900070) is 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCCN(c3nc(C(C)C)ns3)C2)nn1C.
What is the InChIKey of 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is VPBBAFXGGCPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-10(2)14-18-16(24-20-14)22-7-5-6-12(9-22)17-15(23)13-8-11(3)21(4)19-13/h8,10,12H,5-7,9H2,1-4H3,(H,17,23).
What are the key properties of 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide?
1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172900070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).