7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine

C18H23N3OS — CID 10065176

IUPAC7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc2c(c1)-c1nc(NCCCN3CCOCC3)sc1C2
InChIInChI=1S/C18H23N3OS/c1-13-3-4-14-12-16-17(15(14)11-13)20-18(23-16)19-5-2-6-21-7-9-22-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,20)
InChIKeyANNMTYSJUSNJJA-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.16
Rot. Bonds5

About 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine

7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine (PubChem CID 10065176) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
PubChem CID10065176
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine
SMILESCc1ccc2c(c1)-c1nc(NCCCN3CCOCC3)sc1C2
InChIInChI=1S/C18H23N3OS/c1-13-3-4-14-12-16-17(15(14)11-13)20-18(23-16)19-5-2-6-21-7-9-22-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,20)
InChIKeyANNMTYSJUSNJJA-UHFFFAOYSA-N
XLogP3.16
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-7-methyl-4H-indeno[1,2-d][1,3]thiazol-2-amine
CID 130556969
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
2-benzyl-7-methyl-N-(2-morpholin-4-ylethyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 159854671
6-methyl-N-(3-morpholin-4-ylpropyl)-4-phenylquinazolin-2-amine
CID 3829399
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
6-methyl-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 133466881
4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
CID 161241528
N-(6-methyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbutanamide
CID 59725477
5-chloro-4-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;hydrochloride
CID 45099975
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
5-[3-(3-methylphenyl)phenyl]-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68920820

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The IUPAC name of 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine (CID 10065176) is 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine.
What is the SMILES notation for 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The canonical SMILES for 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine is Cc1ccc2c(c1)-c1nc(NCCCN3CCOCC3)sc1C2.
What is the InChIKey of 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine?
The InChIKey is ANNMTYSJUSNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-3-4-14-12-16-17(15(14)11-13)20-18(23-16)19-5-2-6-21-7-9-22-10-8-21/h3-4,11H,2,5-10,12H2,1H3,(H,19,20).
What are the key properties of 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine?
7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine has a molecular weight of 329.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-morpholin-4-ylpropyl)-4H-indeno[1,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 10065176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).