[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C16H28N2OS — CID 114362057

IUPAC[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(CC(C)C)c(CN)s2)CCCCCC1
InChIInChI=1S/C16H28N2OS/c1-12(2)10-13-14(11-17)20-15(18-13)16(19-3)8-6-4-5-7-9-16/h12H,4-11,17H2,1-3H3
InChIKeyMSZJMTFICRJLET-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.00
Rot. Bonds5

About [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362057) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362057
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC1(c2nc(CC(C)C)c(CN)s2)CCCCCC1
InChIInChI=1S/C16H28N2OS/c1-12(2)10-13-14(11-17)20-15(18-13)16(19-3)8-6-4-5-7-9-16/h12H,4-11,17H2,1-3H3
InChIKeyMSZJMTFICRJLET-UHFFFAOYSA-N
XLogP4.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361700
[4-cyclopropyl-2-(1-methoxycyclopentyl)-1,3-thiazol-5-yl]methanamine
CID 114361948
[2-(1-ethoxy-4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362011
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361367
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 116730669
[2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116777812
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222

Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362057) is [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is COC1(c2nc(CC(C)C)c(CN)s2)CCCCCC1.
What is the InChIKey of [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is MSZJMTFICRJLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(2)10-13-14(11-17)20-15(18-13)16(19-3)8-6-4-5-7-9-16/h12H,4-11,17H2,1-3H3.
What are the key properties of [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 296.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).