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

C10H16F2N4OS — CID 114383434

IUPACN-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C10H16F2N4OS/c1-9(2,3)7-6(18-16-15-7)8(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17)
InChIKeySVZZFVORZPNRHS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.16
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 114383434) has the molecular formula C10H16F2N4OS and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID114383434
Molecular FormulaC10H16F2N4OS
Molecular Weight278.33 g/mol
Exact Mass278.10
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C10H16F2N4OS/c1-9(2,3)7-6(18-16-15-7)8(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17)
InChIKeySVZZFVORZPNRHS-UHFFFAOYSA-N
XLogP1.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-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-[2-(1-isopropylpiperidin-3-YL)ethyl]-1,2,3-thiadiazole-5-carboxamide
CID 56701372
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-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
1-(4-propyl-1,2,3-thiadiazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722666
(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-Tert-butylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265063
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
CID 103187265

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide (CID 114383434) is N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is SVZZFVORZPNRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4OS/c1-9(2,3)7-6(18-16-15-7)8(17)14-5-10(11,12)4-13/h4-5,13H2,1-3H3,(H,14,17).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.16, 4 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-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 114383434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).