N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H18N2OS — CID 106927305

IUPACN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1Sc1ncco1
InChIInChI=1S/C15H18N2OS/c1-2-16-14-12-6-4-3-5-11(12)7-8-13(14)19-15-17-9-10-18-15/h3-6,9-10,13-14,16H,2,7-8H2,1H3
InChIKeyRKLQGANLPOFLQR-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106927305) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106927305
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1Sc1ncco1
InChIInChI=1S/C15H18N2OS/c1-2-16-14-12-6-4-3-5-11(12)7-8-13(14)19-15-17-9-10-18-15/h3-6,9-10,13-14,16H,2,7-8H2,1H3
InChIKeyRKLQGANLPOFLQR-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-7-methoxy-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106927379
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64628649
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
3-[[1-(ethylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]butan-1-ol
CID 66136675
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650692
N-methyl-2-(2-methylfuran-3-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107784280
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 64611334
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64650430
N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626851
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106927305) is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1Sc1ncco1.
What is the InChIKey of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is RKLQGANLPOFLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-16-14-12-6-4-3-5-11(12)7-8-13(14)19-15-17-9-10-18-15/h3-6,9-10,13-14,16H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 274.39 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 N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106927305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).