N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine

C9H12F2N2S — CID 131160277

IUPACN-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2CCC(F)(F)C2)s1
InChIInChI=1S/C9H12F2N2S/c1-6-5-12-8(14-6)13-7-2-3-9(10,11)4-7/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyVULDKEQKRXWOJR-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.05
Rot. Bonds2

About N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine

N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 131160277) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID131160277
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC NameN-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(NC2CCC(F)(F)C2)s1
InChIInChI=1S/C9H12F2N2S/c1-6-5-12-8(14-6)13-7-2-3-9(10,11)4-7/h5,7H,2-4H2,1H3,(H,12,13)
InChIKeyVULDKEQKRXWOJR-UHFFFAOYSA-N
XLogP3.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine 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-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine (CID 131160277) is N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(NC2CCC(F)(F)C2)s1.
What is the InChIKey of N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is VULDKEQKRXWOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-6-5-12-8(14-6)13-7-2-3-9(10,11)4-7/h5,7H,2-4H2,1H3,(H,12,13).
What are the key properties of N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine?
N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 218.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 131160277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).