[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine

C12H22N2OS — CID 114361034

IUPAC[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC(C)Cc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-8(15-5)6-10-14-11(12(2,3)4)9(7-13)16-10/h8H,6-7,13H2,1-5H3
InChIKeyWLOUUBCSFFGQCD-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.48
Rot. Bonds4

About [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine

[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114361034) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114361034
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine
SMILESCOC(C)Cc1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-8(15-5)6-10-14-11(12(2,3)4)9(7-13)16-10/h8H,6-7,13H2,1-5H3
InChIKeyWLOUUBCSFFGQCD-UHFFFAOYSA-N
XLogP2.48
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362625
4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazole-5-carboxylic acid
CID 114359392
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methanamine
CID 82439357
[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 103476449
(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114369718
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82438761
[4-tert-butyl-2-(3-ethoxypentan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 114361121
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114360980
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine (CID 114361034) is [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine is COC(C)Cc1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WLOUUBCSFFGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(15-5)6-10-14-11(12(2,3)4)9(7-13)16-10/h8H,6-7,13H2,1-5H3.
What are the key properties of [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2-methoxypropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).