3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C18H16N4OS2 — CID 15992244

IUPAC3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3nc4ccccc4s3)c(N)c2c(C)c1C
InChIInChI=1S/C18H16N4OS2/c1-8-9(2)13-14(19)15(25-17(13)20-10(8)3)16(23)22-18-21-11-6-4-5-7-12(11)24-18/h4-7H,19H2,1-3H3,(H,21,22,23)
InChIKeyZQBVFAMFPFWTQW-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.67
Rot. Bonds2

About 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 15992244) has the molecular formula C18H16N4OS2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID15992244
Molecular FormulaC18H16N4OS2
Molecular Weight368.49 g/mol
Exact Mass368.08
IUPAC Name3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3nc4ccccc4s3)c(N)c2c(C)c1C
InChIInChI=1S/C18H16N4OS2/c1-8-9(2)13-14(19)15(25-17(13)20-10(8)3)16(23)22-18-21-11-6-4-5-7-12(11)24-18/h4-7H,19H2,1-3H3,(H,21,22,23)
InChIKeyZQBVFAMFPFWTQW-UHFFFAOYSA-N
XLogP4.67
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914321
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
N-(1,3-benzothiazol-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43952349
3-amino-N-(1,3-benzothiazol-2-yl)-6-phenyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23886211
3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23743020
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 143505135
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 15992244) is 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3nc4ccccc4s3)c(N)c2c(C)c1C.
What is the InChIKey of 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZQBVFAMFPFWTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS2/c1-8-9(2)13-14(19)15(25-17(13)20-10(8)3)16(23)22-18-21-11-6-4-5-7-12(11)24-18/h4-7H,19H2,1-3H3,(H,21,22,23).
What are the key properties of 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 15992244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).