2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine

C14H16N2O2S — CID 62077685

IUPAC2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCOc1ccc(-c2nc(C3CC3)sc2N)c(OC)c1
InChIInChI=1S/C14H16N2O2S/c1-17-9-5-6-10(11(7-9)18-2)12-13(15)19-14(16-12)8-3-4-8/h5-8H,3-4,15H2,1-2H3
InChIKeyMYIKLQKFKJRADS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.29
Rot. Bonds4

About 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine (PubChem CID 62077685) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine
PubChem CID62077685
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine
SMILESCOc1ccc(-c2nc(C3CC3)sc2N)c(OC)c1
InChIInChI=1S/C14H16N2O2S/c1-17-9-5-6-10(11(7-9)18-2)12-13(15)19-14(16-12)8-3-4-8/h5-8H,3-4,15H2,1-2H3
InChIKeyMYIKLQKFKJRADS-UHFFFAOYSA-N
XLogP3.29
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine (CID 62077685) is 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine is COc1ccc(-c2nc(C3CC3)sc2N)c(OC)c1.
What is the InChIKey of 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine?
The InChIKey is MYIKLQKFKJRADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-17-9-5-6-10(11(7-9)18-2)12-13(15)19-14(16-12)8-3-4-8/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine has a molecular weight of 276.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4-dimethoxyphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 62077685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).