2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine

C13H13N5OS — CID 116796248

IUPAC2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
SMILESCCOc1ccc2nc(Nc3nccc(N)n3)sc2c1
InChIInChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)20-13(16-9)18-12-15-6-5-11(14)17-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyHFGCYSXPTYZHFL-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.81
Rot. Bonds4

About 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine

2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine (PubChem CID 116796248) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
PubChem CID116796248
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
SMILESCCOc1ccc2nc(Nc3nccc(N)n3)sc2c1
InChIInChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)20-13(16-9)18-12-15-6-5-11(14)17-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeyHFGCYSXPTYZHFL-UHFFFAOYSA-N
XLogP2.81
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
CID 62684349
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
CID 79519060
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
butyl N-(6-ethoxy-1,3-benzothiazol-2-yl)carbamate
CID 108747722
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine (CID 116796248) is 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine is CCOc1ccc2nc(Nc3nccc(N)n3)sc2c1.
What is the InChIKey of 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine?
The InChIKey is HFGCYSXPTYZHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-2-19-8-3-4-9-10(7-8)20-13(16-9)18-12-15-6-5-11(14)17-12/h3-7H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine?
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine has a molecular weight of 287.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116796248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).