3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine

C15H18F2N2OS — CID 61337466

IUPAC3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C15H18F2N2OS/c1-3-15(18,4-2)13-19-12(9-21-13)10-5-7-11(8-6-10)20-14(16)17/h5-9,14H,3-4,18H2,1-2H3
InChIKeyRWECNLBEZJDUKS-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.39
Rot. Bonds6

About 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine

3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine (PubChem CID 61337466) has the molecular formula C15H18F2N2OS and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
PubChem CID61337466
Molecular FormulaC15H18F2N2OS
Molecular Weight312.38 g/mol
Exact Mass312.11
IUPAC Name3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1nc(-c2ccc(OC(F)F)cc2)cs1
InChIInChI=1S/C15H18F2N2OS/c1-3-15(18,4-2)13-19-12(9-21-13)10-5-7-11(8-6-10)20-14(16)17/h5-9,14H,3-4,18H2,1-2H3
InChIKeyRWECNLBEZJDUKS-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine (CID 61337466) is 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine is CCC(N)(CC)c1nc(-c2ccc(OC(F)F)cc2)cs1.
What is the InChIKey of 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
The InChIKey is RWECNLBEZJDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-3-15(18,4-2)13-19-12(9-21-13)10-5-7-11(8-6-10)20-14(16)17/h5-9,14H,3-4,18H2,1-2H3.
What are the key properties of 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine?
3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine has a molecular weight of 312.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]pentan-3-amine is sourced from PubChem (CID 61337466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).