O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine

C16H20N2OS — CID 39390793

IUPACO-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
SMILESCc1sc(CCON)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2OS/c1-11-16(18-15(20-11)8-9-19-17)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,17H2,1H3
InChIKeyBQVMCSABQJCHLS-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.43
Rot. Bonds4

About O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine

O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine (PubChem CID 39390793) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
PubChem CID39390793
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameO-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
SMILESCc1sc(CCON)nc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N2OS/c1-11-16(18-15(20-11)8-9-19-17)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,17H2,1H3
InChIKeyBQVMCSABQJCHLS-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39403548
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878555
O-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydroxylamine
CID 83482053
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
O-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]hydroxylamine
CID 82044166
6-[2-(2-methoxyethyl)-5-methyl-1,3-thiazol-4-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 82059368
2-[2-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 82069465
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
5-(2-chloroethyl)-4-(2,3-dihydro-1H-inden-5-yl)-2-methyl-1,3-thiazole
CID 93189973

Frequently Asked Questions

What is the IUPAC name of O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The IUPAC name of O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine (CID 39390793) is O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine.
What is the SMILES notation for O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The canonical SMILES for O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine is Cc1sc(CCON)nc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
The InChIKey is BQVMCSABQJCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-16(18-15(20-11)8-9-19-17)14-7-6-12-4-2-3-5-13(12)10-14/h6-7,10H,2-5,8-9,17H2,1H3.
What are the key properties of O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine?
O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine has a molecular weight of 288.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]ethyl]hydroxylamine is sourced from PubChem (CID 39390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).