2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine

C21H22N4OS — CID 143951485

IUPAC2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine
SMILESNC1=Nc2ccc(NCc3nccs3)cc2CO1.c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12N4OS.C9H10/c13-12-16-10-2-1-9(5-8(10)7-17-12)15-6-11-14-3-4-18-11;1-2-5-9-7-3-6-8(9)4-1/h1-5,15H,6-7H2,(H2,13,16);1-2,4-5H,3,6-7H2
InChIKeyCSBWBISQFPTINR-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.41
Rot. Bonds3

About 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine

2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine (PubChem CID 143951485) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine
PubChem CID143951485
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine
SMILESNC1=Nc2ccc(NCc3nccs3)cc2CO1.c1ccc2c(c1)CCC2
InChIInChI=1S/C12H12N4OS.C9H10/c13-12-16-10-2-1-9(5-8(10)7-17-12)15-6-11-14-3-4-18-11;1-2-5-9-7-3-6-8(9)4-1/h1-5,15H,6-7H2,(H2,13,16);1-2,4-5H,3,6-7H2
InChIKeyCSBWBISQFPTINR-UHFFFAOYSA-N
XLogP4.41
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine with MolForge

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Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
N-(2-amino-4H-3,1-benzoxazin-6-yl)acetamide;2,3-dihydro-1H-indene
CID 143951459
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
N-(2-amino-4H-3,1-benzoxazin-6-yl)piperidine-1-sulfonamide;2,3-dihydro-1H-indene
CID 143951462
2-(2,3-dihydro-1H-inden-1-ylimino)-N-(1,3-thiazol-2-ylmethyl)-1,4-dihydro-3,1-benzoxazin-6-amine
CID 136503346
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
2-nitro-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 121334834
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one
CID 104788357
4-chloro-3-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55249883
N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
CID 63655581
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine?
The IUPAC name of 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine (CID 143951485) is 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine.
What is the SMILES notation for 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine?
The canonical SMILES for 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine is NC1=Nc2ccc(NCc3nccs3)cc2CO1.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine?
The InChIKey is CSBWBISQFPTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS.C9H10/c13-12-16-10-2-1-9(5-8(10)7-17-12)15-6-11-14-3-4-18-11;1-2-5-9-7-3-6-8(9)4-1/h1-5,15H,6-7H2,(H2,13,16);1-2,4-5H,3,6-7H2.
What are the key properties of 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine?
2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine has a molecular weight of 378.50 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;6-N-(1,3-thiazol-2-ylmethyl)-4H-3,1-benzoxazine-2,6-diamine is sourced from PubChem (CID 143951485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).