2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine

C13H14N4S2 — CID 106035818

IUPAC2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
SMILESCc1nc(CCNc2nc3ccc(N)cc3s2)cs1
InChIInChI=1S/C13H14N4S2/c1-8-16-10(7-18-8)4-5-15-13-17-11-3-2-9(14)6-12(11)19-13/h2-3,6-7H,4-5,14H2,1H3,(H,15,17)
InChIKeyBXXKIHKMECZQSN-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.30
Rot. Bonds4

About 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine

2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine (PubChem CID 106035818) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
PubChem CID106035818
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
SMILESCc1nc(CCNc2nc3ccc(N)cc3s2)cs1
InChIInChI=1S/C13H14N4S2/c1-8-16-10(7-18-8)4-5-15-13-17-11-3-2-9(14)6-12(11)19-13/h2-3,6-7H,4-5,14H2,1H3,(H,15,17)
InChIKeyBXXKIHKMECZQSN-UHFFFAOYSA-N
XLogP3.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106049310
2-N-(3-methylsulfanylpropyl)-1,3-benzothiazole-2,6-diamine
CID 63983124
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
2-N-[2-(3,5-difluorophenyl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 63231503
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156
5-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 114139204
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
1-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 106036005
4-amino-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106039434
6-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 108771426
2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115817
2-N-(3-propoxypropyl)-1,3-benzothiazole-2,6-diamine
CID 82940537

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine (CID 106035818) is 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine is Cc1nc(CCNc2nc3ccc(N)cc3s2)cs1.
What is the InChIKey of 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine?
The InChIKey is BXXKIHKMECZQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-8-16-10(7-18-8)4-5-15-13-17-11-3-2-9(14)6-12(11)19-13/h2-3,6-7H,4-5,14H2,1H3,(H,15,17).
What are the key properties of 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine?
2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine has a molecular weight of 290.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 106035818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).