3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C22H20N6O2S2 — CID 21232473

IUPAC3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2sc3nc(N)c(C#N)c(C(C)C)c3c2N)n1
InChIInChI=1S/C22H20N6O2S2/c1-10(2)15-12(8-23)19(25)27-21-16(15)17(24)18(32-21)20(29)28-22-26-13(9-31-22)11-6-4-5-7-14(11)30-3/h4-7,9-10H,24H2,1-3H3,(H2,25,27)(H,26,28,29)
InChIKeyRMHBTZDNCSRSEL-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.84
Rot. Bonds5

About 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 21232473) has the molecular formula C22H20N6O2S2 and a molecular weight of 464.58 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID21232473
Molecular FormulaC22H20N6O2S2
Molecular Weight464.58 g/mol
Exact Mass464.11
IUPAC Name3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2sc3nc(N)c(C#N)c(C(C)C)c3c2N)n1
InChIInChI=1S/C22H20N6O2S2/c1-10(2)15-12(8-23)19(25)27-21-16(15)17(24)18(32-21)20(29)28-22-26-13(9-31-22)11-6-4-5-7-14(11)30-3/h4-7,9-10H,24H2,1-3H3,(H2,25,27)(H,26,28,29)
InChIKeyRMHBTZDNCSRSEL-UHFFFAOYSA-N
XLogP4.84
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3,6-diamino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-cyano-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23998043
N-(3-acetylphenyl)-3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 125117831
2-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23801757
3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 3115449
3,6-diamino-5-cyano-4-(4-ethylphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23998046
3,6-diamino-5-cyano-N-(3-methoxyphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 6618684
methyl 2-[(3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23858375
3,6-diamino-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-cyano-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23914389
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23998031
3,6-diamino-5-cyano-N,4-bis(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23733033
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
3,6-diamino-5-cyano-N-(2-methylphenyl)-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1042928

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 21232473) is 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1-c1csc(NC(=O)c2sc3nc(N)c(C#N)c(C(C)C)c3c2N)n1.
What is the InChIKey of 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RMHBTZDNCSRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2S2/c1-10(2)15-12(8-23)19(25)27-21-16(15)17(24)18(32-21)20(29)28-22-26-13(9-31-22)11-6-4-5-7-14(11)30-3/h4-7,9-10H,24H2,1-3H3,(H2,25,27)(H,26,28,29).
What are the key properties of 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 464.58 g/mol, XLogP of 4.84, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 21232473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).