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

C19H12N6S2 — CID 123477846

IUPAC4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C19H12N6S2/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)16-13-3-6-26-15(13)7-14(25-16)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyHFLPNNVPRPPLRC-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.64
Rot. Bonds3

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

4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine (PubChem CID 123477846) has the molecular formula C19H12N6S2 and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
PubChem CID123477846
Molecular FormulaC19H12N6S2
Molecular Weight388.48 g/mol
Exact Mass388.06
IUPAC Name4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12
InChIInChI=1S/C19H12N6S2/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)16-13-3-6-26-15(13)7-14(25-16)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyHFLPNNVPRPPLRC-UHFFFAOYSA-N
XLogP4.64
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The IUPAC name of 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine (CID 123477846) is 4-(4-methyl-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-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine is Cc1nc(-c2cncnc2)sc1-c1nc(-c2ncccn2)cc2sccc12.
What is the InChIKey of 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
The InChIKey is HFLPNNVPRPPLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6S2/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)16-13-3-6-26-15(13)7-14(25-16)18-22-4-2-5-23-18/h2-10H,1H3.
What are the key properties of 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine?
4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine has a molecular weight of 388.48 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine is sourced from PubChem (CID 123477846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).