N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C12H14N4OS — CID 2086878

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-8(2)7-10-15-16-12(18-10)14-11(17)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16,17)
InChIKeyCNFDZNWYQUFZSF-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.38
Rot. Bonds4

About N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 2086878) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID2086878
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccncc2)s1
InChIInChI=1S/C12H14N4OS/c1-8(2)7-10-15-16-12(18-10)14-11(17)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16,17)
InChIKeyCNFDZNWYQUFZSF-UHFFFAOYSA-N
XLogP2.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 2086878) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is CC(C)Cc1nnc(NC(=O)c2ccncc2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is CNFDZNWYQUFZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(2)7-10-15-16-12(18-10)14-11(17)9-3-5-13-6-4-9/h3-6,8H,7H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 2086878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).