N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine

C13H12N2S2 — CID 834422

IUPACN-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N2S2/c1-9-6-7-10(16-9)8-14-13-15-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,14,15)
InChIKeyOZHHSRYNPFVOJV-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.28
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine

N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 834422) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID834422
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc(CNc2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N2S2/c1-9-6-7-10(16-9)8-14-13-15-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,14,15)
InChIKeyOZHHSRYNPFVOJV-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
Methabenzthiazuron
CID 29216
2,6-Benzothiazolediamine
CID 21504
2-Benzothiazolinone, hydrazone
CID 11988
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-Amino-6-fluorobenzothiazole
CID 319954
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
2-Guanidinobenzothiazole
CID 17415
2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
CID 32030
N-Methylbenzothiazol-2-amine
CID 28160
Anilinobenzothiazole
CID 230981

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 834422) is N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ccc(CNc2nc3ccccc3s2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is OZHHSRYNPFVOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-9-6-7-10(16-9)8-14-13-15-11-4-2-3-5-12(11)17-13/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine?
N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 260.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 834422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).