(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C13H22N2S — CID 81384108

IUPAC(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyOSFSTBKBRUAXNC-SNVBAGLBSA-N
MW238.40 g/mol
LogP3.51
Rot. Bonds4

About (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 81384108) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID81384108
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@H](C)C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyOSFSTBKBRUAXNC-SNVBAGLBSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
1-(1-methylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55172444
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
1-(1-ethylpiperidin-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280456
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81384667
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
tert-butyl N-[2-cyclopentyl-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]carbamate
CID 106834309
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 164642382

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 81384108) is (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CN[C@H](C)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is OSFSTBKBRUAXNC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81384108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).