2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine

C14H15N3S2 — CID 43450475

IUPAC2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(NCCc3cccs3)c(N)cc2s1
InChIInChI=1S/C14H15N3S2/c1-9-17-13-8-12(11(15)7-14(13)19-9)16-5-4-10-3-2-6-18-10/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyXOXPOIADUAJNFH-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.90
Rot. Bonds4

About 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine

2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine (PubChem CID 43450475) has the molecular formula C14H15N3S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine
PubChem CID43450475
Molecular FormulaC14H15N3S2
Molecular Weight289.43 g/mol
Exact Mass289.07
IUPAC Name2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(NCCc3cccs3)c(N)cc2s1
InChIInChI=1S/C14H15N3S2/c1-9-17-13-8-12(11(15)7-14(13)19-9)16-5-4-10-3-2-6-18-10/h2-3,6-8,16H,4-5,15H2,1H3
InChIKeyXOXPOIADUAJNFH-UHFFFAOYSA-N
XLogP3.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-N-(3,3,3-trifluoropropyl)-1,3-benzothiazole-5,6-diamine
CID 63226065
2-methyl-5-(thiophen-2-ylmethoxy)-1,3-benzothiazol-6-amine
CID 54966656
2-methyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzothiazole-5,6-diamine
CID 63332779
2-methyl-5-N-(4,4,4-trifluorobutyl)-1,3-benzothiazole-5,6-diamine
CID 115515261
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-methylethanesulfonamide
CID 106333917
6-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 28904330
5-N-(2,6-dichlorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 65468508
methyl 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]acetate
CID 43450468
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-N-tert-butylacetamide
CID 115355967
2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]-1-thiophen-3-ylethanol
CID 106434522
4-ethoxy-5-fluoro-2-N-(2-thiophen-2-ylethyl)benzene-1,2-diamine
CID 55218205
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine (CID 43450475) is 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine is Cc1nc2cc(NCCc3cccs3)c(N)cc2s1.
What is the InChIKey of 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine?
The InChIKey is XOXPOIADUAJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S2/c1-9-17-13-8-12(11(15)7-14(13)19-9)16-5-4-10-3-2-6-18-10/h2-3,6-8,16H,4-5,15H2,1H3.
What are the key properties of 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine?
2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine has a molecular weight of 289.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-N-(2-thiophen-2-ylethyl)-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 43450475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).