1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one

C18H18N4OS2 — CID 45489026

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1nc(-c2nc3c(s2)CN(C(=O)CCc2cccnc2)CC3)cs1
InChIInChI=1S/C18H18N4OS2/c1-12-20-15(11-24-12)18-21-14-6-8-22(10-16(14)25-18)17(23)5-4-13-3-2-7-19-9-13/h2-3,7,9,11H,4-6,8,10H2,1H3
InChIKeyDYWCKXCJXXKSGN-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one

1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 45489026) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID45489026
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one
SMILESCc1nc(-c2nc3c(s2)CN(C(=O)CCc2cccnc2)CC3)cs1
InChIInChI=1S/C18H18N4OS2/c1-12-20-15(11-24-12)18-21-14-6-8-22(10-16(14)25-18)17(23)5-4-13-3-2-7-19-9-13/h2-3,7,9,11H,4-6,8,10H2,1H3
InChIKeyDYWCKXCJXXKSGN-UHFFFAOYSA-N
XLogP3.49
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one (CID 45489026) is 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one is Cc1nc(-c2nc3c(s2)CN(C(=O)CCc2cccnc2)CC3)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is DYWCKXCJXXKSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c1-12-20-15(11-24-12)18-21-14-6-8-22(10-16(14)25-18)17(23)5-4-13-3-2-7-19-9-13/h2-3,7,9,11H,4-6,8,10H2,1H3.
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one?
1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 370.50 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 45489026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).