3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C19H20N4OS2 — CID 110628804

IUPAC3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1csc(-c2cccnc2)n1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C19H20N4OS2/c24-17(23-9-5-14(6-10-23)18-21-8-11-25-18)4-3-16-13-26-19(22-16)15-2-1-7-20-12-15/h1-2,7-8,11-14H,3-6,9-10H2
InChIKeyJAUOSBQJRBNVJQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.00
Rot. Bonds5

About 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110628804) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110628804
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1csc(-c2cccnc2)n1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C19H20N4OS2/c24-17(23-9-5-14(6-10-23)18-21-8-11-25-18)4-3-16-13-26-19(22-16)15-2-1-7-20-12-15/h1-2,7-8,11-14H,3-6,9-10H2
InChIKeyJAUOSBQJRBNVJQ-UHFFFAOYSA-N
XLogP4.00
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoyl]piperidine-4-carbonitrile
CID 110409898
3-(4-phenyl-1,3-thiazol-2-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110628802
3-(4-hydroxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 136531042
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
4-[2-(1,3-dioxolan-2-yl)ethyl]-2-pyridin-3-yl-1,3-thiazole
CID 18913481
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-one
CID 110612137
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 30086719
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 110628804) is 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCc1csc(-c2cccnc2)n1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JAUOSBQJRBNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c24-17(23-9-5-14(6-10-23)18-21-8-11-25-18)4-3-16-13-26-19(22-16)15-2-1-7-20-12-15/h1-2,7-8,11-14H,3-6,9-10H2.
What are the key properties of 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 384.53 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110628804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).