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

C16H22N2OS — CID 114360980

IUPAC[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(Cc2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-13(10-17)20-14(18-15)9-11-6-5-7-12(8-11)19-4/h5-8H,9-10,17H2,1-4H3
InChIKeyYQAHRWRMHHEFTK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.50
Rot. Bonds4

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

[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 114360980) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
PubChem CID114360980
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
SMILESCOc1cccc(Cc2nc(C(C)(C)C)c(CN)s2)c1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-13(10-17)20-14(18-15)9-11-6-5-7-12(8-11)19-4/h5-8H,9-10,17H2,1-4H3
InChIKeyYQAHRWRMHHEFTK-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-4-tert-butyl-1,3-thiazol-5-yl)methanamine
CID 82438449
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
CID 114361104
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181
[4-tert-butyl-2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361101
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
[4-tert-butyl-2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82438761
N-[[4-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366170
[4-tert-butyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 114361068
[5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 95459878
[4-tert-butyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82438798
methyl 2-[(3-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 79017484
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine (CID 114360980) is [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is COc1cccc(Cc2nc(C(C)(C)C)c(CN)s2)c1.
What is the InChIKey of [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is YQAHRWRMHHEFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)15-13(10-17)20-14(18-15)9-11-6-5-7-12(8-11)19-4/h5-8H,9-10,17H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 290.43 g/mol, XLogP of 3.50, 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-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114360980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).