(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

C15H20N2O2S — CID 105143436

IUPAC(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2csc(C)n2)cc1OCC
InChIInChI=1S/C15H20N2O2S/c1-4-18-13-7-6-11(8-14(13)19-5-2)15(16)12-9-20-10(3)17-12/h6-9,15H,4-5,16H2,1-3H3
InChIKeyOTZSVOSRGHAMJA-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.30
Rot. Bonds6

About (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine

(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 105143436) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID105143436
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCCOc1ccc(C(N)c2csc(C)n2)cc1OCC
InChIInChI=1S/C15H20N2O2S/c1-4-18-13-7-6-11(8-14(13)19-5-2)15(16)12-9-20-10(3)17-12/h6-9,15H,4-5,16H2,1-3H3
InChIKeyOTZSVOSRGHAMJA-UHFFFAOYSA-N
XLogP3.30
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105076919
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552
(2-methyl-1,3-thiazol-4-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155571
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 97052988
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
(S)-(4-ethoxy-3-methoxyphenyl)-thiophen-3-ylmethanamine
CID 171212249
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(S)-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-(3,4-diethoxyphenyl)methanamine
CID 97288354
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanamine
CID 105143419
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
(S)-(1,5-dimethyl-1,2,4-triazol-3-yl)-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288258
1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
CID 116715145

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 105143436) is (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is CCOc1ccc(C(N)c2csc(C)n2)cc1OCC.
What is the InChIKey of (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is OTZSVOSRGHAMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-4-18-13-7-6-11(8-14(13)19-5-2)15(16)12-9-20-10(3)17-12/h6-9,15H,4-5,16H2,1-3H3.
What are the key properties of (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine?
(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 292.40 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 105143436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).