N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine

C18H16N2S — CID 130556969

IUPACN-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc2c(c1)-c1nc(NCc3ccccc3)sc1C2
InChIInChI=1S/C18H16N2S/c1-12-7-8-14-10-16-17(15(14)9-12)20-18(21-16)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRXHCPOMQXJKAEA-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.63
Rot. Bonds3

About N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine

N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine (PubChem CID 130556969) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
PubChem CID130556969
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC NameN-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc2c(c1)-c1nc(NCc3ccccc3)sc1C2
InChIInChI=1S/C18H16N2S/c1-12-7-8-14-10-16-17(15(14)9-12)20-18(21-16)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRXHCPOMQXJKAEA-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 10065176
N-benzyl-5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 130556985
N-benzyl-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2441520
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 25473399
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848146
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2727919
2-(7-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)aniline
CID 79371581
6-(3,4-dimethylphenyl)-N-iodo-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 11395976
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The IUPAC name of N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine (CID 130556969) is N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine.
What is the SMILES notation for N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The canonical SMILES for N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine is Cc1ccc2c(c1)-c1nc(NCc3ccccc3)sc1C2.
What is the InChIKey of N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The InChIKey is RXHCPOMQXJKAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-12-7-8-14-10-16-17(15(14)9-12)20-18(21-16)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine?
N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine has a molecular weight of 292.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 130556969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).