3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

C13H22N2OS — CID 106873361

IUPAC3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOC1CCCC(N)(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C13H22N2OS/c1-9(2)11-8-17-12(15-11)13(14)6-4-5-10(7-13)16-3/h8-10H,4-7,14H2,1-3H3
InChIKeyFKOUFKKTHTWQLX-UHFFFAOYSA-N
MW254.40 g/mol
LogP3.01
Rot. Bonds3

About 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine

3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 106873361) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID106873361
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESCOC1CCCC(N)(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C13H22N2OS/c1-9(2)11-8-17-12(15-11)13(14)6-4-5-10(7-13)16-3/h8-10H,4-7,14H2,1-3H3
InChIKeyFKOUFKKTHTWQLX-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086224
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
CID 54979966
2-(1-ethoxy-3-methylcyclohexyl)-4-propan-2-yl-1,3-thiazole
CID 116782722
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449609
N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine
CID 112740363
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
N-cyclopropyl-3-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 107449642
1-(4-bromo-1,3-thiazol-2-yl)-3-methoxycyclohexan-1-ol
CID 106874125
1-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylcyclohexan-1-amine
CID 63906078
N-cyclopropyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335851
3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524640

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 106873361) is 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is COC1CCCC(N)(c2nc(C(C)C)cs2)C1.
What is the InChIKey of 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is FKOUFKKTHTWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)11-8-17-12(15-11)13(14)6-4-5-10(7-13)16-3/h8-10H,4-7,14H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine?
3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 106873361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).