1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol

C18H19NOS — CID 107682115

IUPAC1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NC1CCSc2ccccc21
InChIInChI=1S/C18H19NOS/c20-13-6-7-14-12(11-13)5-8-16(14)19-17-9-10-21-18-4-2-1-3-15(17)18/h1-4,6-7,11,16-17,19-20H,5,8-10H2
InChIKeyQOIMHXRTJZALQB-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.21
Rot. Bonds2

About 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol

1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682115) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682115
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NC1CCSc2ccccc21
InChIInChI=1S/C18H19NOS/c20-13-6-7-14-12(11-13)5-8-16(14)19-17-9-10-21-18-4-2-1-3-15(17)18/h1-4,6-7,11,16-17,19-20H,5,8-10H2
InChIKeyQOIMHXRTJZALQB-UHFFFAOYSA-N
XLogP4.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(4-hydroxycyclohexyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682715
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
1-[(3-methylcyclobutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682661
[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116
1-(thiolan-2-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682497
2-(2,3-dihydro-1H-inden-1-ylamino)cyclohexan-1-ol
CID 15925776
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62872168
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675
1-(3-bromophenyl)-3-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]thiourea
CID 9236159
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol (CID 107682115) is 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2NC1CCSc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QOIMHXRTJZALQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c20-13-6-7-14-12(11-13)5-8-16(14)19-17-9-10-21-18-4-2-1-3-15(17)18/h1-4,6-7,11,16-17,19-20H,5,8-10H2.
What are the key properties of 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol?
1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 297.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).