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

C8H12F2N4OS — CID 114383695

IUPACN-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H12F2N4OS/c1-2-5-6(16-14-13-5)7(15)12-4-8(9,10)3-11/h2-4,11H2,1H3,(H,12,15)
InChIKeyMXGQWAJCRMWHKK-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.42
Rot. Bonds5

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

N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 114383695) has the molecular formula C8H12F2N4OS and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID114383695
Molecular FormulaC8H12F2N4OS
Molecular Weight250.27 g/mol
Exact Mass250.07
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C8H12F2N4OS/c1-2-5-6(16-14-13-5)7(15)12-4-8(9,10)3-11/h2-4,11H2,1H3,(H,12,15)
InChIKeyMXGQWAJCRMWHKK-UHFFFAOYSA-N
XLogP0.42
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.42
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
N-[2-(azepan-1-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 47168544
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
4-methyl-N-(2,2,2-trifluoroethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45497137
4-ethyl-N-[3-(2-methylpropoxy)propyl]thiadiazole-5-carboxamide
CID 45796421
4-ethyl-N-[2-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 45819986
4-ethyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 51073960
4-ethyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]thiadiazole-5-carboxamide
CID 52652939
1-[4-(4-Ethylthiadiazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 53505982
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-4-ethylthiadiazole-5-carboxamide
CID 71858632
4-ethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 93618229

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide (CID 114383695) is N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is MXGQWAJCRMWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4OS/c1-2-5-6(16-14-13-5)7(15)12-4-8(9,10)3-11/h2-4,11H2,1H3,(H,12,15).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 0.42, 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-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 114383695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).