5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

C15H19ClN2O2S — CID 116812252

IUPAC5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cnc(NCC(C)C)s2)c(Cl)c1OC
InChIInChI=1S/C15H19ClN2O2S/c1-9(2)7-17-15-18-8-12(21-15)10-5-6-11(19-3)14(20-4)13(10)16/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyJIPVQKWJTBDHKQ-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.55
Rot. Bonds6

About 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 116812252) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID116812252
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2cnc(NCC(C)C)s2)c(Cl)c1OC
InChIInChI=1S/C15H19ClN2O2S/c1-9(2)7-17-15-18-8-12(21-15)10-5-6-11(19-3)14(20-4)13(10)16/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyJIPVQKWJTBDHKQ-UHFFFAOYSA-N
XLogP4.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dichlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812335
5-(2,3-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812467
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
5-(3-chlorophenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812281
5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811899
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171221545
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63632375
1-cyclopropyl-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273289
5-(2-chlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116811958
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 116812252) is 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is COc1ccc(-c2cnc(NCC(C)C)s2)c(Cl)c1OC.
What is the InChIKey of 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is JIPVQKWJTBDHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-9(2)7-17-15-18-8-12(21-15)10-5-6-11(19-3)14(20-4)13(10)16/h5-6,8-9H,7H2,1-4H3,(H,17,18).
What are the key properties of 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 326.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,4-dimethoxyphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).