4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide

C16H22N6OS — CID 71779905

IUPAC4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6OS/c1-2-4-13-14(24-21-20-13)15(23)19-11-12-5-9-22(10-6-12)16-17-7-3-8-18-16/h3,7-8,12H,2,4-6,9-11H2,1H3,(H,19,23)
InChIKeyVPYJPYAOLLOBCH-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.93
Rot. Bonds6

About 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide

4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 71779905) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID71779905
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H22N6OS/c1-2-4-13-14(24-21-20-13)15(23)19-11-12-5-9-22(10-6-12)16-17-7-3-8-18-16/h3,7-8,12H,2,4-6,9-11H2,1H3,(H,19,23)
InChIKeyVPYJPYAOLLOBCH-UHFFFAOYSA-N
XLogP1.93
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide (CID 71779905) is 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is VPYJPYAOLLOBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-2-4-13-14(24-21-20-13)15(23)19-11-12-5-9-22(10-6-12)16-17-7-3-8-18-16/h3,7-8,12H,2,4-6,9-11H2,1H3,(H,19,23).
What are the key properties of 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide?
4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 71779905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).