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

C7H10F2N4OS — CID 114383613

IUPACN-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C7H10F2N4OS/c1-4-5(15-13-12-4)6(14)11-3-7(8,9)2-10/h2-3,10H2,1H3,(H,11,14)
InChIKeyLRNPRYUWQAYVIE-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.17
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 114383613) has the molecular formula C7H10F2N4OS and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
PubChem CID114383613
Molecular FormulaC7H10F2N4OS
Molecular Weight236.25 g/mol
Exact Mass236.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C7H10F2N4OS/c1-4-5(15-13-12-4)6(14)11-3-7(8,9)2-10/h2-3,10H2,1H3,(H,11,14)
InChIKeyLRNPRYUWQAYVIE-UHFFFAOYSA-N
XLogP0.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide (CID 114383613) is N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is LRNPRYUWQAYVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4OS/c1-4-5(15-13-12-4)6(14)11-3-7(8,9)2-10/h2-3,10H2,1H3,(H,11,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 236.25 g/mol, XLogP of 0.17, 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-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 114383613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).