1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine

C16H18F2N2S — CID 61338065

IUPAC1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(-c3ccc(F)c(F)c3)cs2)CC1
InChIInChI=1S/C16H18F2N2S/c1-10-4-6-16(19,7-5-10)15-20-14(9-21-15)11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3
InChIKeyOUQGWBXRGUJGGB-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.45
Rot. Bonds2

About 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine

1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine (PubChem CID 61338065) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
PubChem CID61338065
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc(-c3ccc(F)c(F)c3)cs2)CC1
InChIInChI=1S/C16H18F2N2S/c1-10-4-6-16(19,7-5-10)15-20-14(9-21-15)11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3
InChIKeyOUQGWBXRGUJGGB-UHFFFAOYSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine (CID 61338065) is 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc(-c3ccc(F)c(F)c3)cs2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The InChIKey is OUQGWBXRGUJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-10-4-6-16(19,7-5-10)15-20-14(9-21-15)11-2-3-12(17)13(18)8-11/h2-3,8-10H,4-7,19H2,1H3.
What are the key properties of 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine has a molecular weight of 308.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61338065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).