5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C18H17ClN4S — CID 144671237

IUPAC5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cnc(-c2cc(N3CCc4ncsc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C18H17ClN4S/c1-11-5-12(2)18(21-7-11)13-6-17(20-8-14(13)19)23-4-3-15-16(9-23)24-10-22-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyQYCJZHWCBBRELR-UHFFFAOYSA-N
MW356.88 g/mol
LogP4.43
Rot. Bonds2

About 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 144671237) has the molecular formula C18H17ClN4S and a molecular weight of 356.88 g/mol. Its IUPAC name is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID144671237
Molecular FormulaC18H17ClN4S
Molecular Weight356.88 g/mol
Exact Mass356.09
IUPAC Name5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1cnc(-c2cc(N3CCc4ncsc4C3)ncc2Cl)c(C)c1
InChIInChI=1S/C18H17ClN4S/c1-11-5-12(2)18(21-7-11)13-6-17(20-8-14(13)19)23-4-3-15-16(9-23)24-10-22-15/h5-8,10H,3-4,9H2,1-2H3
InChIKeyQYCJZHWCBBRELR-UHFFFAOYSA-N
XLogP4.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 144671237) is 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Cc1cnc(-c2cc(N3CCc4ncsc4C3)ncc2Cl)c(C)c1.
What is the InChIKey of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is QYCJZHWCBBRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4S/c1-11-5-12(2)18(21-7-11)13-6-17(20-8-14(13)19)23-4-3-15-16(9-23)24-10-22-15/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 356.88 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 144671237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).