2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea

C10H13N5OS — CID 83115817

IUPAC2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nc2ccc(N)cc2s1
InChIInChI=1S/C10H13N5OS/c11-6-1-2-7-8(5-6)17-10(15-7)14-4-3-13-9(12)16/h1-2,5H,3-4,11H2,(H,14,15)(H3,12,13,16)
InChIKeyFABDQUALDINXHF-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.96
Rot. Bonds4

About 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea

2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea (PubChem CID 83115817) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
PubChem CID83115817
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea
SMILESNC(=O)NCCNc1nc2ccc(N)cc2s1
InChIInChI=1S/C10H13N5OS/c11-6-1-2-7-8(5-6)17-10(15-7)14-4-3-13-9(12)16/h1-2,5H,3-4,11H2,(H,14,15)(H3,12,13,16)
InChIKeyFABDQUALDINXHF-UHFFFAOYSA-N
XLogP0.96
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116702
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115580
4-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]phenol
CID 63231374
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
N-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79143005
2-N-(3-methylsulfanylpropyl)-1,3-benzothiazole-2,6-diamine
CID 63983124
2-N-[2-(3,5-difluorophenyl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 63231503
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701
2-N-(3-propoxypropyl)-1,3-benzothiazole-2,6-diamine
CID 82940537

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea?
The IUPAC name of 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea (CID 83115817) is 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea is NC(=O)NCCNc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea?
The InChIKey is FABDQUALDINXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-6-1-2-7-8(5-6)17-10(15-7)14-4-3-13-9(12)16/h1-2,5H,3-4,11H2,(H,14,15)(H3,12,13,16).
What are the key properties of 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea?
2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea has a molecular weight of 251.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethylurea is sourced from PubChem (CID 83115817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).