2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol

C17H22N2O2S — CID 19024015

IUPAC2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CNc1nccs1)O2
InChIInChI=1S/C17H22N2O2S/c1-10-11(2)15-13(12(3)14(10)20)5-6-17(4,21-15)9-19-16-18-7-8-22-16/h7-8,20H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyVANCULBCZCSHIA-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.97
Rot. Bonds3

About 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol

2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol (PubChem CID 19024015) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol.

Molecular Properties

Compound Name2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol
PubChem CID19024015
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol
SMILESCc1c(C)c2c(c(C)c1O)CCC(C)(CNc1nccs1)O2
InChIInChI=1S/C17H22N2O2S/c1-10-11(2)15-13(12(3)14(10)20)5-6-17(4,21-15)9-19-16-18-7-8-22-16/h7-8,20H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyVANCULBCZCSHIA-UHFFFAOYSA-N
XLogP3.97
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol 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 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol?
The IUPAC name of 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol (CID 19024015) is 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol.
What is the SMILES notation for 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol?
The canonical SMILES for 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol is Cc1c(C)c2c(c(C)c1O)CCC(C)(CNc1nccs1)O2.
What is the InChIKey of 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol?
The InChIKey is VANCULBCZCSHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-10-11(2)15-13(12(3)14(10)20)5-6-17(4,21-15)9-19-16-18-7-8-22-16/h7-8,20H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol?
2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol has a molecular weight of 318.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetramethyl-2-[(1,3-thiazol-2-ylamino)methyl]-3,4-dihydrochromen-6-ol is sourced from PubChem (CID 19024015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).