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

C12H11Cl3N4OS — CID 16548056

IUPAC3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C12H11Cl3N4OS/c1-5(2)3-7-18-19-12(21-7)17-11(20)10-9(15)8(14)6(13)4-16-10/h4-5H,3H2,1-2H3,(H,17,19,20)
InChIKeyVVATUBQJAAWYQC-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.34
Rot. Bonds4

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

3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 16548056) has the molecular formula C12H11Cl3N4OS and a molecular weight of 365.67 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID16548056
Molecular FormulaC12H11Cl3N4OS
Molecular Weight365.67 g/mol
Exact Mass363.97
IUPAC Name3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1
InChIInChI=1S/C12H11Cl3N4OS/c1-5(2)3-7-18-19-12(21-7)17-11(20)10-9(15)8(14)6(13)4-16-10/h4-5H,3H2,1-2H3,(H,17,19,20)
InChIKeyVVATUBQJAAWYQC-UHFFFAOYSA-N
XLogP4.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 16551109
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106259566
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
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
4-butoxy-3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 18848765
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276435
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
3,5-dichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-pentoxybenzamide
CID 18848842

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 16548056) is 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is CC(C)Cc1nnc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)s1.
What is the InChIKey of 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is VVATUBQJAAWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4OS/c1-5(2)3-7-18-19-12(21-7)17-11(20)10-9(15)8(14)6(13)4-16-10/h4-5H,3H2,1-2H3,(H,17,19,20).
What are the key properties of 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 365.67 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 16548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).