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

C15H15N5OS2 — CID 169167419

IUPAC3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1nccs1
InChIInChI=1S/C15H15N5OS2/c21-12(2-1-11-16-4-7-22-11)20-6-3-10-13(19-9-18-10)14(20)15-17-5-8-23-15/h4-5,7-9,14H,1-3,6H2,(H,18,19)/t14-/m0/s1
InChIKeyKWIZQTFUVMROEH-AWEZNQCLSA-N
MW345.45 g/mol
LogP2.43
Rot. Bonds4

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

3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (PubChem CID 169167419) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
PubChem CID169167419
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1nccs1
InChIInChI=1S/C15H15N5OS2/c21-12(2-1-11-16-4-7-22-11)20-6-3-10-13(19-9-18-10)14(20)15-17-5-8-23-15/h4-5,7-9,14H,1-3,6H2,(H,18,19)/t14-/m0/s1
InChIKeyKWIZQTFUVMROEH-AWEZNQCLSA-N
XLogP2.43
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-[(4R)-4-(1H-indol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 169163614
1-[(4S)-4-(7-cyclopropyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 169164101
1-[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 169167195
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 99928379
[(4S)-4-(1,3-benzothiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167043
(4R)-4-(1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 174058699
[(4S)-4-(6-bromo-1H-benzimidazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-thiazol-2-yl)methanone
CID 169167241
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1-[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 169166856
2-phenoxy-1-(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone;2,2,2-trifluoroacetic acid
CID 70119847
2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
(4S)-5-(3-piperidin-1-ylpropanoyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylic acid
CID 95866736

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one (CID 169167419) is 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is O=C(CCc1nccs1)N1CCc2[nH]cnc2[C@H]1c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
The InChIKey is KWIZQTFUVMROEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N5OS2/c21-12(2-1-11-16-4-7-22-11)20-6-3-10-13(19-9-18-10)14(20)15-17-5-8-23-15/h4-5,7-9,14H,1-3,6H2,(H,18,19)/t14-/m0/s1.
What are the key properties of 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one?
3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one has a molecular weight of 345.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1-[(4S)-4-(1,3-thiazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 169167419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).