N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine

C15H14N2OS — CID 62841030

IUPACN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCCc4sccc43)nc2c1
InChIInChI=1S/C15H14N2OS/c1-2-6-13-12(4-1)17-15(18-13)16-11-5-3-7-14-10(11)8-9-19-14/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,17)
InChIKeyCWFZYTLVNXIHCV-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.38
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine

N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine (PubChem CID 62841030) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine
PubChem CID62841030
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NC3CCCc4sccc43)nc2c1
InChIInChI=1S/C15H14N2OS/c1-2-6-13-12(4-1)17-15(18-13)16-11-5-3-7-14-10(11)8-9-19-14/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,17)
InChIKeyCWFZYTLVNXIHCV-UHFFFAOYSA-N
XLogP4.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-2,5-diamine
CID 79881384
5-(2-chloroethyl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106957562
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
N-[(5S)-7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,3-benzoxazol-2-amine
CID 94497182
N-[1-(1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841258
6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
5-[(tert-butylamino)methyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106960597
3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774312
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63418984

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine (CID 62841030) is N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine is c1ccc2oc(NC3CCCc4sccc43)nc2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine?
The InChIKey is CWFZYTLVNXIHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-6-13-12(4-1)17-15(18-13)16-11-5-3-7-14-10(11)8-9-19-14/h1-2,4,6,8-9,11H,3,5,7H2,(H,16,17).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine?
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine has a molecular weight of 270.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 62841030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).