N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide

C8H11F2N3OS — CID 104954949

IUPACN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C8H11F2N3OS/c1-5-12-2-6(15-5)7(14)13-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,13,14)
InChIKeyDWWPLUVUKJNUAJ-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.78
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104954949) has the molecular formula C8H11F2N3OS and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID104954949
Molecular FormulaC8H11F2N3OS
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(F)(F)CN)s1
InChIInChI=1S/C8H11F2N3OS/c1-5-12-2-6(15-5)7(14)13-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,13,14)
InChIKeyDWWPLUVUKJNUAJ-UHFFFAOYSA-N
XLogP0.78
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 104954949) is N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC(F)(F)CN)s1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DWWPLUVUKJNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS/c1-5-12-2-6(15-5)7(14)13-4-8(9,10)3-11/h2H,3-4,11H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 235.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104954949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).