3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide

C16H19N5O2S — CID 118777156

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C16H19N5O2S/c1-10-13(11(2)19-15(23)18-10)3-4-14(22)17-6-5-12-9-21-7-8-24-16(21)20-12/h7-9H,3-6H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyQQORXLPEFRFFLE-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.39
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide (PubChem CID 118777156) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
PubChem CID118777156
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C16H19N5O2S/c1-10-13(11(2)19-15(23)18-10)3-4-14(22)17-6-5-12-9-21-7-8-24-16(21)20-12/h7-9H,3-6H2,1-2H3,(H,17,22)(H,18,19,23)
InChIKeyQQORXLPEFRFFLE-UHFFFAOYSA-N
XLogP1.39
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 71914392
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-pyridin-3-ylpropanamide
CID 90652526
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propanamide
CID 134027791
N-[2-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)-2-oxoethyl]benzamide
CID 110661562
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
methyl 3-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]propanoate
CID 60690600
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 131939568
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112683612
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide (CID 118777156) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCc1cn2ccsc2n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide?
The InChIKey is QQORXLPEFRFFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-13(11(2)19-15(23)18-10)3-4-14(22)17-6-5-12-9-21-7-8-24-16(21)20-12/h7-9H,3-6H2,1-2H3,(H,17,22)(H,18,19,23).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide has a molecular weight of 345.43 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)propanamide is sourced from PubChem (CID 118777156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).