3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C16H24N6O2S — CID 120642255

IUPAC3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)Nc2nc(C3CCNCC3)nn2C)c1C
InChIInChI=1S/C16H24N6O2S/c1-10-11(2)25-16(24)22(10)9-6-13(23)18-15-19-14(20-21(15)3)12-4-7-17-8-5-12/h12,17H,4-9H2,1-3H3,(H,18,19,20,23)
InChIKeyOLODVPSUMDWKKZ-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.15
Rot. Bonds5

About 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120642255) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120642255
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCc1sc(=O)n(CCC(=O)Nc2nc(C3CCNCC3)nn2C)c1C
InChIInChI=1S/C16H24N6O2S/c1-10-11(2)25-16(24)22(10)9-6-13(23)18-15-19-14(20-21(15)3)12-4-7-17-8-5-12/h12,17H,4-9H2,1-3H3,(H,18,19,20,23)
InChIKeyOLODVPSUMDWKKZ-UHFFFAOYSA-N
XLogP1.15
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120642006
2,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120642007
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120642254
3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide;hydrochloride
CID 120642635
3-methyl-N-[3-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-3-oxopropyl]butanamide
CID 120642636
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643199
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120643200

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120642255) is 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is Cc1sc(=O)n(CCC(=O)Nc2nc(C3CCNCC3)nn2C)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is OLODVPSUMDWKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-10-11(2)25-16(24)22(10)9-6-13(23)18-15-19-14(20-21(15)3)12-4-7-17-8-5-12/h12,17H,4-9H2,1-3H3,(H,18,19,20,23).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 364.48 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120642255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).