[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C15H20N2OS — CID 82433800

IUPAC[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1Cc1nc(C(C)C)c(CN)s1
InChIInChI=1S/C15H20N2OS/c1-10(2)15-13(9-16)19-14(17-15)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,16H2,1-3H3
InChIKeyUSGHWTFPSIAQKU-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.32
Rot. Bonds5

About [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 82433800) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID82433800
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCOc1ccccc1Cc1nc(C(C)C)c(CN)s1
InChIInChI=1S/C15H20N2OS/c1-10(2)15-13(9-16)19-14(17-15)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,16H2,1-3H3
InChIKeyUSGHWTFPSIAQKU-UHFFFAOYSA-N
XLogP3.32
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82425710
[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434343
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
[2-[(2-methoxyphenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396852
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
[2-[(2-bromophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362094
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 82433800) is [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is COc1ccccc1Cc1nc(C(C)C)c(CN)s1.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is USGHWTFPSIAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10(2)15-13(9-16)19-14(17-15)8-11-6-4-5-7-12(11)18-3/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 276.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82433800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).