N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

C15H26N2S — CID 116885305

IUPACN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2sc(CC(C)C)nc2C)CC1
InChIInChI=1S/C15H26N2S/c1-10(2)9-14-17-11(3)15(18-14)12-5-7-13(16-4)8-6-12/h10,12-13,16H,5-9H2,1-4H3
InChIKeyCNWOXOCXKZGCSM-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.90
Rot. Bonds4

About N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine

N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (PubChem CID 116885305) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
PubChem CID116885305
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2sc(CC(C)C)nc2C)CC1
InChIInChI=1S/C15H26N2S/c1-10(2)9-14-17-11(3)15(18-14)12-5-7-13(16-4)8-6-12/h10,12-13,16H,5-9H2,1-4H3
InChIKeyCNWOXOCXKZGCSM-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015096
N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
[4-cyclopropyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82436940
N-methyl-3-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884752
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanethiol
CID 82426539
N-methyl-2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-amine
CID 116887347
N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
CID 115926877
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187787
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine (CID 116885305) is N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is CNC1CCC(c2sc(CC(C)C)nc2C)CC1.
What is the InChIKey of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
The InChIKey is CNWOXOCXKZGCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-10(2)9-14-17-11(3)15(18-14)12-5-7-13(16-4)8-6-12/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine?
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 116885305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).