[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine

C13H22N2S — CID 65423825

IUPAC[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)C1CCC(c2ncc(CN)s2)CC1
InChIInChI=1S/C13H22N2S/c1-9(2)10-3-5-11(6-4-10)13-15-8-12(7-14)16-13/h8-11H,3-7,14H2,1-2H3
InChIKeyCLTZKBNQEKLTIG-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.53
Rot. Bonds3

About [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine

[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 65423825) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine
PubChem CID65423825
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)C1CCC(c2ncc(CN)s2)CC1
InChIInChI=1S/C13H22N2S/c1-9(2)10-3-5-11(6-4-10)13-15-8-12(7-14)16-13/h8-11H,3-7,14H2,1-2H3
InChIKeyCLTZKBNQEKLTIG-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine (CID 65423825) is [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine is CC(C)C1CCC(c2ncc(CN)s2)CC1.
What is the InChIKey of [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is CLTZKBNQEKLTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9(2)10-3-5-11(6-4-10)13-15-8-12(7-14)16-13/h8-11H,3-7,14H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine?
[2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylcyclohexyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 65423825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).