3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine

C14H14N2S2 — CID 54886401

IUPAC3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
SMILESCC(C)c1cc(-c2nc3ccccc3s2)c(N)s1
InChIInChI=1S/C14H14N2S2/c1-8(2)12-7-9(13(15)17-12)14-16-10-5-3-4-6-11(10)18-14/h3-8H,15H2,1-2H3
InChIKeyJQQGSIISVAOHNU-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.73
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine

3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine (PubChem CID 54886401) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
PubChem CID54886401
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine
SMILESCC(C)c1cc(-c2nc3ccccc3s2)c(N)s1
InChIInChI=1S/C14H14N2S2/c1-8(2)12-7-9(13(15)17-12)14-16-10-5-3-4-6-11(10)18-14/h3-8H,15H2,1-2H3
InChIKeyJQQGSIISVAOHNU-UHFFFAOYSA-N
XLogP4.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 14980663
3-(1,3-benzothiazol-2-yl)-4-bromoaniline
CID 113281149
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25125097
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
2,6-bis(1,3-benzothiazol-2-yl)-4-methylphenol
CID 137265432
2-(2-methylquinolin-3-yl)-1,3-benzothiazole
CID 163587218
5-[2-(1,3-benzothiazol-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117472107
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
5-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-amine
CID 24711318
4-(1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 135218835

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine (CID 54886401) is 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine is CC(C)c1cc(-c2nc3ccccc3s2)c(N)s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine?
The InChIKey is JQQGSIISVAOHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-8(2)12-7-9(13(15)17-12)14-16-10-5-3-4-6-11(10)18-14/h3-8H,15H2,1-2H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine?
3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine has a molecular weight of 274.41 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-5-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 54886401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).