1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

C19H24N6OS — CID 86987728

IUPAC1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)s1
InChIInChI=1S/C19H24N6OS/c1-4-8-17-22-23-19(27-17)21-18(26)20-11-16-13(2)24-25(14(16)3)12-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,20,21,23,26)
InChIKeyWUJSHORVYBUDAJ-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.67
Rot. Bonds7

About 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea

1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 86987728) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID86987728
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)s1
InChIInChI=1S/C19H24N6OS/c1-4-8-17-22-23-19(27-17)21-18(26)20-11-16-13(2)24-25(14(16)3)12-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,20,21,23,26)
InChIKeyWUJSHORVYBUDAJ-UHFFFAOYSA-N
XLogP3.67
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]urea
CID 41439102
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)urea
CID 27870285
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 8943603
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-pyrazol-1-ylphenyl)urea
CID 112825576
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 27870291
1-[(6-chloro-3-pyridinyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 87009229

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 86987728) is 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)s1.
What is the InChIKey of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is WUJSHORVYBUDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-4-8-17-22-23-19(27-17)21-18(26)20-11-16-13(2)24-25(14(16)3)12-15-9-6-5-7-10-15/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,20,21,23,26).
What are the key properties of 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 384.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 86987728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).