N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine

C11H18N2S — CID 61371033

IUPACN-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCC(CNc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h6-7,9-10H,2-5,8H2,1H3,(H,12,13)
InChIKeyUPBOBXQHXNPAHU-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.38
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine

N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (PubChem CID 61371033) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
PubChem CID61371033
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
SMILESCC1CCC(CNc2nccs2)CC1
InChIInChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h6-7,9-10H,2-5,8H2,1H3,(H,12,13)
InChIKeyUPBOBXQHXNPAHU-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine (CID 61371033) is N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is CC1CCC(CNc2nccs2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is UPBOBXQHXNPAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h6-7,9-10H,2-5,8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine?
N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61371033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).