4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C13H13N5OS2 — CID 107806799

IUPAC4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C13H13N5OS2/c1-18(2)13-17-11(14)10(21-13)12(19)16-7-3-4-8-9(5-7)20-6-15-8/h3-6H,14H2,1-2H3,(H,16,19)
InChIKeyKUOMELSLEXJGLH-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.65
Rot. Bonds3

About 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 107806799) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID107806799
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC Name4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2ccc3ncsc3c2)s1
InChIInChI=1S/C13H13N5OS2/c1-18(2)13-17-11(14)10(21-13)12(19)16-7-3-4-8-9(5-7)20-6-15-8/h3-6H,14H2,1-2H3,(H,16,19)
InChIKeyKUOMELSLEXJGLH-UHFFFAOYSA-N
XLogP2.65
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663693
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
3-amino-N-(1,3-benzothiazol-6-yl)-2-methylbenzamide
CID 107802503
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
5-amino-N-(1,3-benzothiazol-6-yl)-2-fluoro-3-methylbenzamide
CID 107802448

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 107806799) is 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2ccc3ncsc3c2)s1.
What is the InChIKey of 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is KUOMELSLEXJGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-18(2)13-17-11(14)10(21-13)12(19)16-7-3-4-8-9(5-7)20-6-15-8/h3-6H,14H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 107806799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).