4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

C11H18N2S — CID 165491533

IUPAC4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)CC1Cc1nccs1
InChIInChI=1S/C11H18N2S/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3
InChIKeyHMFSNNBLJMUDEN-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.45
Rot. Bonds2

About 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine

4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (PubChem CID 165491533) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
PubChem CID165491533
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(N)CC1Cc1nccs1
InChIInChI=1S/C11H18N2S/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3
InChIKeyHMFSNNBLJMUDEN-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1,3-thiazol-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462024
4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 83196384
2-[(3-bromo-2-methylcyclopentyl)methyl]-1,3-thiazole
CID 79824864
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
N,2-dimethyl-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
CID 79823752
4-methyl-3-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 165497401
N-methyl-2-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79824079
1-N-methyl-1-N-(1,3-thiazol-2-ylmethyl)cyclobutane-1,3-diamine
CID 127015558
2-[(2-chlorocyclohexyl)methyl]-1,3-thiazole
CID 79824963
N-[[4-ethyl-2-(1,3-thiazol-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81032468
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine (CID 165491533) is 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is CC1CCC(N)CC1Cc1nccs1.
What is the InChIKey of 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is HMFSNNBLJMUDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h4-5,8-10H,2-3,6-7,12H2,1H3.
What are the key properties of 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine?
4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 210.35 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 165491533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).