2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene

C13H16N2O2S — CID 143273820

IUPAC2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)CCC2.NC1=NC(=O)CS1
InChIInChI=1S/C10H12O.C3H4N2OS/c1-11-10-6-5-8-3-2-4-9(8)7-10;4-3-5-2(6)1-7-3/h5-7H,2-4H2,1H3;1H2,(H2,4,5,6)
InChIKeyJDCHYASKZFIMII-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.76
Rot. Bonds1

About 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene

2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene (PubChem CID 143273820) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene
PubChem CID143273820
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene
SMILESCOc1ccc2c(c1)CCC2.NC1=NC(=O)CS1
InChIInChI=1S/C10H12O.C3H4N2OS/c1-11-10-6-5-8-3-2-4-9(8)7-10;4-3-5-2(6)1-7-3/h5-7H,2-4H2,1H3;1H2,(H2,4,5,6)
InChIKeyJDCHYASKZFIMII-UHFFFAOYSA-N
XLogP1.76
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-ium 2-oxide
CID 21080187
1-amino-7-methoxy-4H-isoquinolin-3-one
CID 58443117
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
3-methoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;13-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-amine
CID 157372679
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzenecarbothioamide
CID 81298509
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
CID 120902755
13-methoxy-3,6-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaen-5-amine
CID 59738031
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
2-(2,3-dihydro-1H-inden-5-yloxy)-4-methoxybenzonitrile
CID 81305874
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
CID 79774116

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene (CID 143273820) is 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene is COc1ccc2c(c1)CCC2.NC1=NC(=O)CS1.
What is the InChIKey of 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene?
The InChIKey is JDCHYASKZFIMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C3H4N2OS/c1-11-10-6-5-8-3-2-4-9(8)7-10;4-3-5-2(6)1-7-3/h5-7H,2-4H2,1H3;1H2,(H2,4,5,6).
What are the key properties of 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene?
2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene has a molecular weight of 264.35 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-thiazol-4-one;5-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 143273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).