2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine

C12H19FN2S — CID 138015398

IUPAC2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
SMILESCC(CNC1CCCCC1F)c1nccs1
InChIInChI=1S/C12H19FN2S/c1-9(12-14-6-7-16-12)8-15-11-5-3-2-4-10(11)13/h6-7,9-11,15H,2-5,8H2,1H3
InChIKeyCNIWLDCWOOWVPD-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.12
Rot. Bonds4

About 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine

2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine (PubChem CID 138015398) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
PubChem CID138015398
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
SMILESCC(CNC1CCCCC1F)c1nccs1
InChIInChI=1S/C12H19FN2S/c1-9(12-14-6-7-16-12)8-15-11-5-3-2-4-10(11)13/h6-7,9-11,15H,2-5,8H2,1H3
InChIKeyCNIWLDCWOOWVPD-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24261996
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CID 24262107
CID 24262127
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CID 64989109
CID 64989109
CID 64488437
CID 64488437
CID 125527390
CID 125527390
CID 71190891
CID 71190891
CID 118297231
CID 118297231
CID 145536281
CID 145536281

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine (CID 138015398) is 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine is CC(CNC1CCCCC1F)c1nccs1.
What is the InChIKey of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is CNIWLDCWOOWVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-9(12-14-6-7-16-12)8-15-11-5-3-2-4-10(11)13/h6-7,9-11,15H,2-5,8H2,1H3.
What are the key properties of 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 138015398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).