1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea

C15H21N7OS — CID 74230786

IUPAC1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
SMILESCCCn1nc(C)c(NC(=O)NC(C)c2cn3ncsc3n2)c1C
InChIInChI=1S/C15H21N7OS/c1-5-6-21-11(4)13(10(3)20-21)19-14(23)17-9(2)12-7-22-15(18-12)24-8-16-22/h7-9H,5-6H2,1-4H3,(H2,17,19,23)
InChIKeyIKFYCOOMWAWBES-UHFFFAOYSA-N
MW347.45 g/mol
LogP2.90
Rot. Bonds5

About 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea

1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea (PubChem CID 74230786) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
PubChem CID74230786
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
SMILESCCCn1nc(C)c(NC(=O)NC(C)c2cn3ncsc3n2)c1C
InChIInChI=1S/C15H21N7OS/c1-5-6-21-11(4)13(10(3)20-21)19-14(23)17-9(2)12-7-22-15(18-12)24-8-16-22/h7-9H,5-6H2,1-4H3,(H2,17,19,23)
InChIKeyIKFYCOOMWAWBES-UHFFFAOYSA-N
XLogP2.90
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-1-methylurea
CID 125446904
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
CID 122558681
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
methyl 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylpropanoate
CID 67420161
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
CID 131894443
1-(3-hydroxypropyl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[(5-methylthiophen-2-yl)methyl]urea
CID 122565253
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]urea
CID 136815496
2-(benzotriazol-2-yl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)acetamide
CID 134709995
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
1-[(2S)-butan-2-yl]-3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 29057295
1-(difluoromethyl)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-5-methylpyrrole-2-carboxamide
CID 134711551

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea?
The IUPAC name of 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea (CID 74230786) is 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea is CCCn1nc(C)c(NC(=O)NC(C)c2cn3ncsc3n2)c1C.
What is the InChIKey of 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea?
The InChIKey is IKFYCOOMWAWBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-5-6-21-11(4)13(10(3)20-21)19-14(23)17-9(2)12-7-22-15(18-12)24-8-16-22/h7-9H,5-6H2,1-4H3,(H2,17,19,23).
What are the key properties of 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea?
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea has a molecular weight of 347.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea is sourced from PubChem (CID 74230786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).