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

C9H14F2N4OS — CID 114383499

IUPACN-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4OS/c1-2-3-6-7(17-15-14-6)8(16)13-5-9(10,11)4-12/h2-5,12H2,1H3,(H,13,16)
InChIKeyJAOFXMRFEWJEHH-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.81
Rot. Bonds6

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

N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 114383499) 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-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide
PubChem CID114383499
Molecular FormulaC9H14F2N4OS
Molecular Weight264.30 g/mol
Exact Mass264.09
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H14F2N4OS/c1-2-3-6-7(17-15-14-6)8(16)13-5-9(10,11)4-12/h2-5,12H2,1H3,(H,13,16)
InChIKeyJAOFXMRFEWJEHH-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 71789237
N-cycloheptyl-4-ethylthiadiazole-5-carboxamide
CID 9192469
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
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-4-propylthiadiazole-5-carboxamide
CID 125520907
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
1-(4-propyl-1,2,3-thiadiazole-5-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722666
2-[(4-Propylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264820

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide (CID 114383499) is N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is JAOFXMRFEWJEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4OS/c1-2-3-6-7(17-15-14-6)8(16)13-5-9(10,11)4-12/h2-5,12H2,1H3,(H,13,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 0.81, 6 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-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 114383499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).