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

C12H22N2OS — CID 116727637

IUPACN-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC(c1ncc(CNC(C)C)s1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-8(2)11(15-5)12-14-7-10(16-12)6-13-9(3)4/h7-9,11,13H,6H2,1-5H3
InChIKeyYFJTYEJJAYOFCU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.98
Rot. Bonds6

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

N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 116727637) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID116727637
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOC(c1ncc(CNC(C)C)s1)C(C)C
InChIInChI=1S/C12H22N2OS/c1-8(2)11(15-5)12-14-7-10(16-12)6-13-9(3)4/h7-9,11,13H,6H2,1-5H3
InChIKeyYFJTYEJJAYOFCU-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-[[2-[ethoxy(phenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774375
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116774365
(2R)-2-[(2-propan-2-yl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 103757495
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
N-[[2-(1-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 116727612
N-[[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82425037
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 116727637) is N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COC(c1ncc(CNC(C)C)s1)C(C)C.
What is the InChIKey of N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is YFJTYEJJAYOFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)11(15-5)12-14-7-10(16-12)6-13-9(3)4/h7-9,11,13H,6H2,1-5H3.
What are the key properties of N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 116727637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).