N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide

C12H13ClN4OS — CID 114049064

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C12H13ClN4OS/c1-3-4-9-10(19-17-16-9)12(18)15-8-5-7(2)11(13)14-6-8/h5-6H,3-4H2,1-2H3,(H,15,18)
InChIKeyYDAVAIUUPNJJHL-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.10
Rot. Bonds4

About N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 114049064) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
PubChem CID114049064
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cnc(Cl)c(C)c1
InChIInChI=1S/C12H13ClN4OS/c1-3-4-9-10(19-17-16-9)12(18)15-8-5-7(2)11(13)14-6-8/h5-6H,3-4H2,1-2H3,(H,15,18)
InChIKeyYDAVAIUUPNJJHL-UHFFFAOYSA-N
XLogP3.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-(pyridin-4-ylmethylamino)isothiazole-3-carboxamide
CID 44591378
4-cyclopropyl-N-[(3-fluoro-2-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 44443738
4-cyclopropyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 25189482
N-(5-bromo-2-chloro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 2800275
4-ethyl-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 24512528
4-ethyl-N-pyridin-3-ylthiadiazole-5-carboxamide
CID 25345538
4-ethyl-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
CID 35064187
N-(3-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811133
N-(4-chlorophenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811154
4-methyl-N-(pyridin-3-yl)-1,2,3-thiadiazole-5-carboxamide
CID 2804293
1-(2-Chlorophenyl)-N-propyl-5-(pyridin-4-YL)-1H-1,2,3-triazole-4-carboxamide
CID 53036907
1-(2-Chlorophenyl)-N-(propan-2-YL)-5-(pyridin-4-YL)-1H-1,2,3-triazole-4-carboxamide
CID 53036908

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide (CID 114049064) is N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1cnc(Cl)c(C)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is YDAVAIUUPNJJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-3-4-9-10(19-17-16-9)12(18)15-8-5-7(2)11(13)14-6-8/h5-6H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 114049064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).