3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine

C19H19N5OS2 — CID 76571314

IUPAC3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine
SMILESCOc1ccc(CC(N)CNc2ncc(-c3nc4ccncc4s3)s2)cc1
InChIInChI=1S/C19H19N5OS2/c1-25-14-4-2-12(3-5-14)8-13(20)9-22-19-23-11-17(27-19)18-24-15-6-7-21-10-16(15)26-18/h2-7,10-11,13H,8-9,20H2,1H3,(H,22,23)
InChIKeyZMWFWLOQVOLRRD-UHFFFAOYSA-N
MW397.53 g/mol
LogP3.81
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine

3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine (PubChem CID 76571314) has the molecular formula C19H19N5OS2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine
PubChem CID76571314
Molecular FormulaC19H19N5OS2
Molecular Weight397.53 g/mol
Exact Mass397.10
IUPAC Name3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine
SMILESCOc1ccc(CC(N)CNc2ncc(-c3nc4ccncc4s3)s2)cc1
InChIInChI=1S/C19H19N5OS2/c1-25-14-4-2-12(3-5-14)8-13(20)9-22-19-23-11-17(27-19)18-24-15-6-7-21-10-16(15)26-18/h2-7,10-11,13H,8-9,20H2,1H3,(H,22,23)
InChIKeyZMWFWLOQVOLRRD-UHFFFAOYSA-N
XLogP3.81
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine?
The IUPAC name of 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine (CID 76571314) is 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine is COc1ccc(CC(N)CNc2ncc(-c3nc4ccncc4s3)s2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine?
The InChIKey is ZMWFWLOQVOLRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS2/c1-25-14-4-2-12(3-5-14)8-13(20)9-22-19-23-11-17(27-19)18-24-15-6-7-21-10-16(15)26-18/h2-7,10-11,13H,8-9,20H2,1H3,(H,22,23).
What are the key properties of 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine?
3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine has a molecular weight of 397.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-N-[5-([1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 76571314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).