4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine

C8H9ClF2N2S — CID 131207542

IUPAC4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESFC1(F)CC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C8H9ClF2N2S/c9-6-4-14-7(13-6)12-3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H,12,13)
InChIKeyIAAIXOQEMGRTPC-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.25
Rot. Bonds3

About 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine

4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine (PubChem CID 131207542) has the molecular formula C8H9ClF2N2S and a molecular weight of 238.69 g/mol. Its IUPAC name is 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
PubChem CID131207542
Molecular FormulaC8H9ClF2N2S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine
SMILESFC1(F)CC(CNc2nc(Cl)cs2)C1
InChIInChI=1S/C8H9ClF2N2S/c9-6-4-14-7(13-6)12-3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H,12,13)
InChIKeyIAAIXOQEMGRTPC-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine (CID 131207542) is 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine is FC1(F)CC(CNc2nc(Cl)cs2)C1.
What is the InChIKey of 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is IAAIXOQEMGRTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2S/c9-6-4-14-7(13-6)12-3-5-1-8(10,11)2-5/h4-5H,1-3H2,(H,12,13).
What are the key properties of 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine?
4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 238.69 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,3-difluorocyclobutyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131207542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).