1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine

C12H15N3S2 — CID 113461169

IUPAC1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(-c3cncs3)n2)CCCCC1
InChIInChI=1S/C12H15N3S2/c13-12(4-2-1-3-5-12)10-7-16-11(15-10)9-6-14-8-17-9/h6-8H,1-5,13H2
InChIKeyWYWXLHUEGMACOG-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.38
Rot. Bonds2

About 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine

1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine (PubChem CID 113461169) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine
PubChem CID113461169
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine
SMILESNC1(c2csc(-c3cncs3)n2)CCCCC1
InChIInChI=1S/C12H15N3S2/c13-12(4-2-1-3-5-12)10-7-16-11(15-10)9-6-14-8-17-9/h6-8H,1-5,13H2
InChIKeyWYWXLHUEGMACOG-UHFFFAOYSA-N
XLogP3.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine (CID 113461169) is 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine is NC1(c2csc(-c3cncs3)n2)CCCCC1.
What is the InChIKey of 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
The InChIKey is WYWXLHUEGMACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c13-12(4-2-1-3-5-12)10-7-16-11(15-10)9-6-14-8-17-9/h6-8H,1-5,13H2.
What are the key properties of 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine?
1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine has a molecular weight of 265.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-5-yl)-1,3-thiazol-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 113461169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).