N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide

C8H12ClN3O2S — CID 106183126

IUPACN-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOCC(CCl)NC(=O)c1snnc1C
InChIInChI=1S/C8H12ClN3O2S/c1-5-7(15-12-11-5)8(13)10-6(3-9)4-14-2/h6H,3-4H2,1-2H3,(H,10,13)
InChIKeyFQXWDPFHNXRTPI-UHFFFAOYSA-N
MW249.72 g/mol
LogP0.83
Rot. Bonds5

About N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide

N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 106183126) has the molecular formula C8H12ClN3O2S and a molecular weight of 249.72 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID106183126
Molecular FormulaC8H12ClN3O2S
Molecular Weight249.72 g/mol
Exact Mass249.03
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOCC(CCl)NC(=O)c1snnc1C
InChIInChI=1S/C8H12ClN3O2S/c1-5-7(15-12-11-5)8(13)10-6(3-9)4-14-2/h6H,3-4H2,1-2H3,(H,10,13)
InChIKeyFQXWDPFHNXRTPI-UHFFFAOYSA-N
XLogP0.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminobutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65193405
N-(2-bromo-3-methoxypropyl)-4-methylthiadiazole-5-carboxamide
CID 114309922
N-(1-bromo-4-methylpentan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 114311643
N-(4-hydroxy-1-methoxybutan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 106153352
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
N-(1-chloro-3-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 106182519
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide (CID 106183126) is N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide is COCC(CCl)NC(=O)c1snnc1C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is FQXWDPFHNXRTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2S/c1-5-7(15-12-11-5)8(13)10-6(3-9)4-14-2/h6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide?
N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 249.72 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 106183126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).