2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid

C15H16N2O3S — CID 154771465

IUPAC2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N(Cc2ccc(O)cc2)CC2CC2)s1
InChIInChI=1S/C15H16N2O3S/c18-12-5-3-11(4-6-12)9-17(8-10-1-2-10)15-16-7-13(21-15)14(19)20/h3-7,10,18H,1-2,8-9H2,(H,19,20)
InChIKeyOHYVDGATSIUNKU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.96
Rot. Bonds6

About 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid

2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 154771465) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID154771465
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N(Cc2ccc(O)cc2)CC2CC2)s1
InChIInChI=1S/C15H16N2O3S/c18-12-5-3-11(4-6-12)9-17(8-10-1-2-10)15-16-7-13(21-15)14(19)20/h3-7,10,18H,1-2,8-9H2,(H,19,20)
InChIKeyOHYVDGATSIUNKU-UHFFFAOYSA-N
XLogP2.96
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 154771465) is 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N(Cc2ccc(O)cc2)CC2CC2)s1.
What is the InChIKey of 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is OHYVDGATSIUNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-12-5-3-11(4-6-12)9-17(8-10-1-2-10)15-16-7-13(21-15)14(19)20/h3-7,10,18H,1-2,8-9H2,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(4-hydroxyphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154771465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).