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

C16H28N2S — CID 62404624

IUPAC2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(C2CCCC(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H28N2S/c1-11(2)9-17-10-15-13(4)18-16(19-15)14-7-5-6-12(3)8-14/h11-12,14,17H,5-10H2,1-4H3
InChIKeyRHRPXBOYVBGEFM-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.49
Rot. Bonds5

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

2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62404624) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62404624
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCc1nc(C2CCCC(C)C2)sc1CNCC(C)C
InChIInChI=1S/C16H28N2S/c1-11(2)9-17-10-15-13(4)18-16(19-15)14-7-5-6-12(3)8-14/h11-12,14,17H,5-10H2,1-4H3
InChIKeyRHRPXBOYVBGEFM-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-(3-methylcyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364221
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
2-methyl-N-[[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427509
N-[[2-(1,4-dioxan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65352027
N-[[2-(2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65405236
N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N-[[2-(3-methylcyclopentyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365150
N-[[2-(3-ethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65415450

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62404624) is 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is Cc1nc(C2CCCC(C)C2)sc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RHRPXBOYVBGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-11(2)9-17-10-15-13(4)18-16(19-15)14-7-5-6-12(3)8-14/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62404624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).