(3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine

C9H12F2N2S — CID 164657494

IUPAC(3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)2-1-6(3-9)8(12)7-4-13-14-5-7/h4-6,8H,1-3,12H2
InChIKeyLGRIALBEYSTTGP-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.58
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine

(3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine (PubChem CID 164657494) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine
PubChem CID164657494
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name(3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine
SMILESNC(c1cnsc1)C1CCC(F)(F)C1
InChIInChI=1S/C9H12F2N2S/c10-9(11)2-1-6(3-9)8(12)7-4-13-14-5-7/h4-6,8H,1-3,12H2
InChIKeyLGRIALBEYSTTGP-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

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The IUPAC name of (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine (CID 164657494) is (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine is NC(c1cnsc1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine?
The InChIKey is LGRIALBEYSTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c10-9(11)2-1-6(3-9)8(12)7-4-13-14-5-7/h4-6,8H,1-3,12H2.
What are the key properties of (3,3-difluorocyclopentyl)-(1,2-thiazol-4-yl)methanamine?
(3,3-difluorocyclopentyl)-(1,2-thiazol-4-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-4-yl)methanamine is sourced from PubChem (CID 164657494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).