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

C18H9ClN6S2 — CID 123832640

IUPAC4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESClc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C18H9ClN6S2/c19-16-15(27-18(25-16)10-7-20-9-21-8-10)14-11-2-5-26-13(11)6-12(24-14)17-22-3-1-4-23-17/h1-9H
InChIKeyGEOICUVMEZRTCR-UHFFFAOYSA-N
MW408.90 g/mol
LogP4.99
Rot. Bonds3

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

4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine (PubChem CID 123832640) has the molecular formula C18H9ClN6S2 and a molecular weight of 408.90 g/mol. Its IUPAC name is 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
PubChem CID123832640
Molecular FormulaC18H9ClN6S2
Molecular Weight408.90 g/mol
Exact Mass408.00
IUPAC Name4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESClc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C18H9ClN6S2/c19-16-15(27-18(25-16)10-7-20-9-21-8-10)14-11-2-5-26-13(11)6-12(24-14)17-22-3-1-4-23-17/h1-9H
InChIKeyGEOICUVMEZRTCR-UHFFFAOYSA-N
XLogP4.99
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123777526
4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
CID 123903690
4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
4,4-dimethyl-2-[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridin-6-yl]-5H-1,3-oxazole
CID 123713625
4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123730233
6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyridin-2-ylfuro[3,2-c]pyridine
CID 123255086
4-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-6-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123528594
6-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-4-pyrimidin-2-ylfuro[3,2-c]pyridine
CID 123262037
7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
CID 123513218
4-(3-phenylphenyl)thieno[3,2-c]pyridine
CID 146304121
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The IUPAC name of 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine (CID 123832640) is 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine is Clc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12.
What is the InChIKey of 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The InChIKey is GEOICUVMEZRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClN6S2/c19-16-15(27-18(25-16)10-7-20-9-21-8-10)14-11-2-5-26-13(11)6-12(24-14)17-22-3-1-4-23-17/h1-9H.
What are the key properties of 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine has a molecular weight of 408.90 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 123832640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).