(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H17N5O2S — CID 165419028

IUPAC(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESNc1nc2cc(C(=O)N3Cc4[nH]cnc4C(c4cccc(O)c4)C3)ccc2s1
InChIInChI=1S/C20H17N5O2S/c21-20-24-15-7-12(4-5-17(15)28-20)19(27)25-8-14(11-2-1-3-13(26)6-11)18-16(9-25)22-10-23-18/h1-7,10,14,26H,8-9H2,(H2,21,24)(H,22,23)
InChIKeyNZNVTEDLAGELKX-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.10
Rot. Bonds2

About (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165419028) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165419028
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESNc1nc2cc(C(=O)N3Cc4[nH]cnc4C(c4cccc(O)c4)C3)ccc2s1
InChIInChI=1S/C20H17N5O2S/c21-20-24-15-7-12(4-5-17(15)28-20)19(27)25-8-14(11-2-1-3-13(26)6-11)18-16(9-25)22-10-23-18/h1-7,10,14,26H,8-9H2,(H2,21,24)(H,22,23)
InChIKeyNZNVTEDLAGELKX-UHFFFAOYSA-N
XLogP3.10
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165419028) is (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Nc1nc2cc(C(=O)N3Cc4[nH]cnc4C(c4cccc(O)c4)C3)ccc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is NZNVTEDLAGELKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c21-20-24-15-7-12(4-5-17(15)28-20)19(27)25-8-14(11-2-1-3-13(26)6-11)18-16(9-25)22-10-23-18/h1-7,10,14,26H,8-9H2,(H2,21,24)(H,22,23).
What are the key properties of (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 391.46 g/mol, XLogP of 3.10, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-5-yl)-[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165419028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).