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

C19H18N4OS2 — CID 23914321

IUPAC3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3sc4nc(C)c(C)c(C)c4c3N)sc2c1
InChIInChI=1S/C19H18N4OS2/c1-8-5-6-12-13(7-8)25-19(22-12)23-17(24)16-15(20)14-10(3)9(2)11(4)21-18(14)26-16/h5-7H,20H2,1-4H3,(H,22,23,24)
InChIKeyPBVIPKVUFVORSP-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.97
Rot. Bonds2

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

3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23914321) has the molecular formula C19H18N4OS2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID23914321
Molecular FormulaC19H18N4OS2
Molecular Weight382.51 g/mol
Exact Mass382.09
IUPAC Name3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2nc(NC(=O)c3sc4nc(C)c(C)c(C)c4c3N)sc2c1
InChIInChI=1S/C19H18N4OS2/c1-8-5-6-12-13(7-8)25-19(22-12)23-17(24)16-15(20)14-10(3)9(2)11(4)21-18(14)26-16/h5-7H,20H2,1-4H3,(H,22,23,24)
InChIKeyPBVIPKVUFVORSP-UHFFFAOYSA-N
XLogP4.97
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23970218
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
[(6-methyl-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23933114
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
3-amino-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 23743020
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 23914321) is 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2nc(NC(=O)c3sc4nc(C)c(C)c(C)c4c3N)sc2c1.
What is the InChIKey of 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is PBVIPKVUFVORSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS2/c1-8-5-6-12-13(7-8)25-19(22-12)23-17(24)16-15(20)14-10(3)9(2)11(4)21-18(14)26-16/h5-7H,20H2,1-4H3,(H,22,23,24).
What are the key properties of 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23914321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).