(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine

C9H12F2N2S — CID 131059316

IUPAC(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)3-1-6(5-9)8(12)7-2-4-13-14-7/h2,4,6,8H,1,3,5,12H2
InChIKeyMDJHXPYUBGYUAY-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.58
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine

(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine (PubChem CID 131059316) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine
PubChem CID131059316
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine
SMILESNC(c1ccns1)C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)3-1-6(5-9)8(12)7-2-4-13-14-7/h2,4,6,8H,1,3,5,12H2
InChIKeyMDJHXPYUBGYUAY-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine 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

(3-ethylcyclopentyl)-(1,2-thiazol-5-yl)methanamine
CID 130900895
(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744593
2-cyclohexyl-1-(1,2-thiazol-5-yl)ethanamine
CID 130943558
cyclopentyl-(3,3-difluorocyclopentyl)methanamine
CID 130484946
1-(1,2-thiazol-5-yl)ethane-1,2-diamine
CID 55274616
(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
(4-methylcyclohexyl)-(1,2-thiazol-5-yl)methanol
CID 131059678
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
(4,4-difluorocyclohexyl)-quinolin-3-ylmethanamine
CID 105097828
2-(2-bromo-3-fluorophenyl)-1-(3,3-difluorocyclopentyl)ethanamine
CID 114216183
(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
CID 142025460
2-(oxolan-3-yl)-1-(1,2-thiazol-5-yl)ethanamine
CID 130871307

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine?
The IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine (CID 131059316) is (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine is NC(c1ccns1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine?
The InChIKey is MDJHXPYUBGYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c10-9(11)3-1-6(5-9)8(12)7-2-4-13-14-7/h2,4,6,8H,1,3,5,12H2.
What are the key properties of (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine?
(3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine has a molecular weight of 218.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine is sourced from PubChem (CID 131059316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).