N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide

C9H14F2N4OS — CID 114383694

IUPACN-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4OS/c1-5(2)6-7(17-15-14-6)8(16)13-4-9(10,11)3-12/h5H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyVNEJITOALAAHNA-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.99
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 114383694) has the molecular formula C9H14F2N4OS and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID114383694
Molecular FormulaC9H14F2N4OS
Molecular Weight264.30 g/mol
Exact Mass264.09
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4OS/c1-5(2)6-7(17-15-14-6)8(16)13-4-9(10,11)3-12/h5H,3-4,12H2,1-2H3,(H,13,16)
InChIKeyVNEJITOALAAHNA-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-piperidin-1-ylethyl)thiadiazole-5-carboxamide
CID 45893429
4-Ethyl-N-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
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-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229
4-cyclopropyl-N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]thiadiazole-5-carboxamide
CID 136587878
4-propyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497132
4-ethyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 45825248
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 114383694) is N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is VNEJITOALAAHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4OS/c1-5(2)6-7(17-15-14-6)8(16)13-4-9(10,11)3-12/h5H,3-4,12H2,1-2H3,(H,13,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 114383694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).