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

C12H14ClN5OS — CID 106259566

IUPAC5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cc(N)cnc2Cl)s1
InChIInChI=1S/C12H14ClN5OS/c1-6(2)3-9-17-18-12(20-9)16-11(19)8-4-7(14)5-15-10(8)13/h4-6H,3,14H2,1-2H3,(H,16,18,19)
InChIKeyYFLJNHAMMHOPMY-UHFFFAOYSA-N
MW311.80 g/mol
LogP2.62
Rot. Bonds4

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

5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 106259566) has the molecular formula C12H14ClN5OS and a molecular weight of 311.80 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID106259566
Molecular FormulaC12H14ClN5OS
Molecular Weight311.80 g/mol
Exact Mass311.06
IUPAC Name5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cc(N)cnc2Cl)s1
InChIInChI=1S/C12H14ClN5OS/c1-6(2)3-9-17-18-12(20-9)16-11(19)8-4-7(14)5-15-10(8)13/h4-6H,3,14H2,1-2H3,(H,16,18,19)
InChIKeyYFLJNHAMMHOPMY-UHFFFAOYSA-N
XLogP2.62
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 16548056
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
5-fluoro-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106262222
5-carbamothioyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 106261329
2-amino-6-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106259550
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
4-hydrazinyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 106262310
4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 102709910
2-chloro-6-hydrazinyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 106262288

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 106259566) is 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is CC(C)Cc1nnc(NC(=O)c2cc(N)cnc2Cl)s1.
What is the InChIKey of 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is YFLJNHAMMHOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5OS/c1-6(2)3-9-17-18-12(20-9)16-11(19)8-4-7(14)5-15-10(8)13/h4-6H,3,14H2,1-2H3,(H,16,18,19).
What are the key properties of 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 311.80 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 106259566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).