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

C14H22N2S — CID 82436887

IUPACN-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc(C2CC2)nc1C1CC1
InChIInChI=1S/C14H22N2S/c1-9(2)7-15-8-12-13(10-3-4-10)16-14(17-12)11-5-6-11/h9-11,15H,3-8H2,1-2H3
InChIKeyOXOBMIJJQTUCMY-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.64
Rot. Bonds6

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

N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 82436887) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID82436887
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc(C2CC2)nc1C1CC1
InChIInChI=1S/C14H22N2S/c1-9(2)7-15-8-12-13(10-3-4-10)16-14(17-12)11-5-6-11/h9-11,15H,3-8H2,1-2H3
InChIKeyOXOBMIJJQTUCMY-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82432254
N-[(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436157
N,4-dicyclopropyl-N-ethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 63917342
N-[[4-cyclopropyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82436752
N-[(2-cycloheptyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 114367140
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
N-[[2-(4,4-dimethylcyclohexyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842098
N-[(4-cyclopropyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436305
4-cyclopropyl-N-(2-ethoxyethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 81064681
1-[4-cyclopropyl-2-(4-ethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367070
N-[[4-cyclopropyl-2-(4-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367712
2-methyl-N-[[4-methyl-2-(3-methylcyclohexyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404624

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 82436887) is N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1sc(C2CC2)nc1C1CC1.
What is the InChIKey of N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is OXOBMIJJQTUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(2)7-15-8-12-13(10-3-4-10)16-14(17-12)11-5-6-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82436887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).