[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C13H22N2O2S — CID 114361700

IUPAC[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2(OC)CCCCC2)sc1CN
InChIInChI=1S/C13H22N2O2S/c1-16-9-10-11(8-14)18-12(15-10)13(17-2)6-4-3-5-7-13/h3-9,14H2,1-2H3
InChIKeyPYJBDEGQGSPJCA-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.55
Rot. Bonds5

About [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361700) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361700
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCOCc1nc(C2(OC)CCCCC2)sc1CN
InChIInChI=1S/C13H22N2O2S/c1-16-9-10-11(8-14)18-12(15-10)13(17-2)6-4-3-5-7-13/h3-9,14H2,1-2H3
InChIKeyPYJBDEGQGSPJCA-UHFFFAOYSA-N
XLogP2.55
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 114361700) is [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is COCc1nc(C2(OC)CCCCC2)sc1CN.
What is the InChIKey of [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is PYJBDEGQGSPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-16-9-10-11(8-14)18-12(15-10)13(17-2)6-4-3-5-7-13/h3-9,14H2,1-2H3.
What are the key properties of [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).