4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

C15H19N3O2S — CID 142006952

IUPAC4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc([N+](=O)[O-])c3c2CCCC3)=N1
InChIInChI=1S/C15H19N3O2S/c1-2-10-9-21-15(16-10)17-13-7-8-14(18(19)20)12-6-4-3-5-11(12)13/h7-8,10H,2-6,9H2,1H3,(H,16,17)
InChIKeyDPMFWSXMBQFNNB-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.77
Rot. Bonds3

About 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 142006952) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID142006952
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc([N+](=O)[O-])c3c2CCCC3)=N1
InChIInChI=1S/C15H19N3O2S/c1-2-10-9-21-15(16-10)17-13-7-8-14(18(19)20)12-6-4-3-5-11(12)13/h7-8,10H,2-6,9H2,1H3,(H,16,17)
InChIKeyDPMFWSXMBQFNNB-UHFFFAOYSA-N
XLogP3.77
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-2-methylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107637513
4-nitro-5,6,7,8-tetrahydronaphthalene-1-carbonyl chloride
CID 22452665
(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345416
(3S)-3-[(7-nitro-2,3-dihydro-1H-inden-4-yl)amino]butanoic acid
CID 175187189
(4S)-4-benzyl-N-(3-nitrophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135033006
4-ethyl-N-(3-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439518
N-(4-bromo-2-ethylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81289937
4-benzyl-N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261345
N-(2-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247555
4-ethyl-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 155137381
5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 70281218
6-methyl-5-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 80718009

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 142006952) is 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc([N+](=O)[O-])c3c2CCCC3)=N1.
What is the InChIKey of 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DPMFWSXMBQFNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-10-9-21-15(16-10)17-13-7-8-14(18(19)20)12-6-4-3-5-11(12)13/h7-8,10H,2-6,9H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 305.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-nitro-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 142006952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).