1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C18H19N5OS2 — CID 169167155

IUPAC1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2C1c1nc(C2CC2)cs1
InChIInChI=1S/C18H19N5OS2/c24-15(4-3-14-19-6-8-25-14)23-7-5-12-16(21-10-20-12)17(23)18-22-13(9-26-18)11-1-2-11/h6,8-11,17H,1-5,7H2,(H,20,21)
InChIKeyWEMZRHZFOLKIFZ-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.31
Rot. Bonds5

About 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 169167155) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID169167155
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2C1c1nc(C2CC2)cs1
InChIInChI=1S/C18H19N5OS2/c24-15(4-3-14-19-6-8-25-14)23-7-5-12-16(21-10-20-12)17(23)18-22-13(9-26-18)11-1-2-11/h6,8-11,17H,1-5,7H2,(H,20,21)
InChIKeyWEMZRHZFOLKIFZ-UHFFFAOYSA-N
XLogP3.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 169167155) is 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCc2[nH]cnc2C1c1nc(C2CC2)cs1.
What is the InChIKey of 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is WEMZRHZFOLKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c24-15(4-3-14-19-6-8-25-14)23-7-5-12-16(21-10-20-12)17(23)18-22-13(9-26-18)11-1-2-11/h6,8-11,17H,1-5,7H2,(H,20,21).
What are the key properties of 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 385.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropyl-1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 169167155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).