6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine

C19H10ClN5S2 — CID 123897919

IUPAC6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine
SMILESClc1nc(-c2cncnc2)sc1-c1ccc2cc(-c3ccccn3)sc2n1
InChIInChI=1S/C19H10ClN5S2/c20-17-16(27-19(25-17)12-8-21-10-22-9-12)14-5-4-11-7-15(26-18(11)24-14)13-3-1-2-6-23-13/h1-10H
InChIKeyGXSKSQUCOFJWQZ-UHFFFAOYSA-N
MW407.91 g/mol
LogP5.59
Rot. Bonds3

About 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine

6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine (PubChem CID 123897919) has the molecular formula C19H10ClN5S2 and a molecular weight of 407.91 g/mol. Its IUPAC name is 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine
PubChem CID123897919
Molecular FormulaC19H10ClN5S2
Molecular Weight407.91 g/mol
Exact Mass407.01
IUPAC Name6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine
SMILESClc1nc(-c2cncnc2)sc1-c1ccc2cc(-c3ccccn3)sc2n1
InChIInChI=1S/C19H10ClN5S2/c20-17-16(27-19(25-17)12-8-21-10-22-9-12)14-5-4-11-7-15(26-18(11)24-14)13-3-1-2-6-23-13/h1-10H
InChIKeyGXSKSQUCOFJWQZ-UHFFFAOYSA-N
XLogP5.59
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.91
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine with MolForge

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Related Compounds

TH1020
CID 124203921
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178124
N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 122178125
5-chloro-N-[2-chloro-5-(4-pyridin-4-ylthieno[2,3-d]pyrimidin-6-yl)-3-pyridinyl]thiophene-2-sulfonamide
CID 122178126
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
N-(pyridin-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 944383
7,9-Dimethyl-4-piperidinopyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CID 2816104

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine (CID 123897919) is 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine is Clc1nc(-c2cncnc2)sc1-c1ccc2cc(-c3ccccn3)sc2n1.
What is the InChIKey of 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine?
The InChIKey is GXSKSQUCOFJWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClN5S2/c20-17-16(27-19(25-17)12-8-21-10-22-9-12)14-5-4-11-7-15(26-18(11)24-14)13-3-1-2-6-23-13/h1-10H.
What are the key properties of 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine?
6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine has a molecular weight of 407.91 g/mol, XLogP of 5.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-2-pyridin-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 123897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).