3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine

C17H20N2OS — CID 104524643

IUPAC3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine
SMILESCC1COc2ccccc2C1(N)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H20N2OS/c1-11-10-20-14-8-4-2-6-12(14)17(11,18)16-19-13-7-3-5-9-15(13)21-16/h2,4,6,8,11H,3,5,7,9-10,18H2,1H3
InChIKeyYADBXBVFPPHRBM-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.25
Rot. Bonds1

About 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine

3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine (PubChem CID 104524643) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine
PubChem CID104524643
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine
SMILESCC1COc2ccccc2C1(N)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H20N2OS/c1-11-10-20-14-8-4-2-6-12(14)17(11,18)16-19-13-7-3-5-9-15(13)21-16/h2,4,6,8,11H,3,5,7,9-10,18H2,1H3
InChIKeyYADBXBVFPPHRBM-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine?
The IUPAC name of 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine (CID 104524643) is 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine?
The canonical SMILES for 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine is CC1COc2ccccc2C1(N)c1nc2c(s1)CCCC2.
What is the InChIKey of 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine?
The InChIKey is YADBXBVFPPHRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-10-20-14-8-4-2-6-12(14)17(11,18)16-19-13-7-3-5-9-15(13)21-16/h2,4,6,8,11H,3,5,7,9-10,18H2,1H3.
What are the key properties of 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine?
3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine has a molecular weight of 300.43 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 104524643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).