N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine

C15H13N5S2 — CID 171934757

IUPACN-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
SMILESCc1cn(C)nc1Nc1ccc2scc(-c3ccns3)c2n1
InChIInChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyZESZPGWEQAVONG-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.21
Rot. Bonds3

About N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine

N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine (PubChem CID 171934757) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
PubChem CID171934757
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC NameN-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
SMILESCc1cn(C)nc1Nc1ccc2scc(-c3ccns3)c2n1
InChIInChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyZESZPGWEQAVONG-UHFFFAOYSA-N
XLogP4.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine?
The IUPAC name of N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine (CID 171934757) is N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine?
The canonical SMILES for N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine is Cc1cn(C)nc1Nc1ccc2scc(-c3ccns3)c2n1.
What is the InChIKey of N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine?
The InChIKey is ZESZPGWEQAVONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-9-7-20(2)19-15(9)18-13-4-3-12-14(17-13)10(8-21-12)11-5-6-16-22-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine?
N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine has a molecular weight of 327.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 171934757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).