N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C17H20N6O3S — CID 71802064

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CCn3ccc(=O)[nH]c3=O)cs2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-9-12(2)23(21-11)17-19-13(10-27-17)3-6-18-14(24)4-7-22-8-5-15(25)20-16(22)26/h5,8-10H,3-4,6-7H2,1-2H3,(H,18,24)(H,20,25,26)
InChIKeyIJDUCKZROUMMLJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.54
Rot. Bonds7

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 71802064) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID71802064
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)CCn3ccc(=O)[nH]c3=O)cs2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-9-12(2)23(21-11)17-19-13(10-27-17)3-6-18-14(24)4-7-22-8-5-15(25)20-16(22)26/h5,8-10H,3-4,6-7H2,1-2H3,(H,18,24)(H,20,25,26)
InChIKeyIJDUCKZROUMMLJ-UHFFFAOYSA-N
XLogP0.54
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-Dimethylpyrazol-1-YL)-N-[2-(piperidine-1-sulfonyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46969398
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 71802058
ethyl 4-((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)amino)-4-oxobutanoate
CID 71802072
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(N-methylmethylsulfonamido)acetamide
CID 71802113
1-methyl-6-oxo-N-{2-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethyl}-1,6-dihydropyridazine-3-carboxamide
CID 71802171
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
1-(Azepan-1-YL)-2-[2-(3,5-dimethyl-1H-pyrazol-1-YL)-1,3-thiazol-4-YL]ethan-1-one
CID 46265279
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
N-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 72129064

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 71802064) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is Cc1cc(C)n(-c2nc(CCNC(=O)CCn3ccc(=O)[nH]c3=O)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is IJDUCKZROUMMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-11-9-12(2)23(21-11)17-19-13(10-27-17)3-6-18-14(24)4-7-22-8-5-15(25)20-16(22)26/h5,8-10H,3-4,6-7H2,1-2H3,(H,18,24)(H,20,25,26).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 388.45 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 71802064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).