7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine

C16H18N4S2 — CID 133391151

IUPAC7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine
SMILESCc1nc(N2CCN(c3ccnc4ccsc34)CC2)sc1C
InChIInChI=1S/C16H18N4S2/c1-11-12(2)22-16(18-11)20-8-6-19(7-9-20)14-3-5-17-13-4-10-21-15(13)14/h3-5,10H,6-9H2,1-2H3
InChIKeyGQUFFVXRSBVJNY-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.70
Rot. Bonds2

About 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine

7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine (PubChem CID 133391151) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine
PubChem CID133391151
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine
SMILESCc1nc(N2CCN(c3ccnc4ccsc34)CC2)sc1C
InChIInChI=1S/C16H18N4S2/c1-11-12(2)22-16(18-11)20-8-6-19(7-9-20)14-3-5-17-13-4-10-21-15(13)14/h3-5,10H,6-9H2,1-2H3
InChIKeyGQUFFVXRSBVJNY-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine (CID 133391151) is 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine is Cc1nc(N2CCN(c3ccnc4ccsc34)CC2)sc1C.
What is the InChIKey of 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine?
The InChIKey is GQUFFVXRSBVJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-11-12(2)22-16(18-11)20-8-6-19(7-9-20)14-3-5-17-13-4-10-21-15(13)14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine?
7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine has a molecular weight of 330.48 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 133391151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).