(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine

C7H8F2N2S — CID 105444152

IUPAC(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNCc1nc2c(s1)C(F)(F)CC2
InChIInChI=1S/C7H8F2N2S/c8-7(9)2-1-4-6(7)12-5(3-10)11-4/h1-3,10H2
InChIKeyPJDUBUMGGYSCFH-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.64
Rot. Bonds1

About (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine

(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine (PubChem CID 105444152) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine
PubChem CID105444152
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine
SMILESNCc1nc2c(s1)C(F)(F)CC2
InChIInChI=1S/C7H8F2N2S/c8-7(9)2-1-4-6(7)12-5(3-10)11-4/h1-3,10H2
InChIKeyPJDUBUMGGYSCFH-UHFFFAOYSA-N
XLogP1.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine?
The IUPAC name of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine (CID 105444152) is (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine.
What is the SMILES notation for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine?
The canonical SMILES for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine is NCc1nc2c(s1)C(F)(F)CC2.
What is the InChIKey of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine?
The InChIKey is PJDUBUMGGYSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c8-7(9)2-1-4-6(7)12-5(3-10)11-4/h1-3,10H2.
What are the key properties of (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine?
(6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine has a molecular weight of 190.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-difluoro-4,5-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine is sourced from PubChem (CID 105444152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).