N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C9H13F2N3O2S — CID 106168184

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyIABLHQYDHBCGEY-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.02
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 106168184) has the molecular formula C9H13F2N3O2S and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID106168184
Molecular FormulaC9H13F2N3O2S
Molecular Weight265.28 g/mol
Exact Mass265.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16)
InChIKeyIABLHQYDHBCGEY-UHFFFAOYSA-N
XLogP1.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-tert-butyl-N-(3-methoxypropyl)thiadiazole-5-carboxamide
CID 86807030
4-propyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497132
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284
(4-ethylthiadiazol-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929052
(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929053
2-[(4-Propan-2-ylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261719
3,3,3-Trifluoro-2-methyl-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]propanoic acid
CID 79795303
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiadiazole-5-carboxamide
CID 103015388
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265
N-(3,3-difluoro-2-hydroxypropyl)-4-ethylthiadiazole-5-carboxamide
CID 103770476

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 106168184) is N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is IABLHQYDHBCGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2S/c1-5(2)6-7(17-14-13-6)8(16)12-3-9(10,11)4-15/h5,15H,3-4H2,1-2H3,(H,12,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 106168184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).