1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C12H18N6OS — CID 46982167

IUPAC1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nnc(NC(=O)N(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-7-10(8(2)18(5)16-7)6-17(4)12(19)13-11-15-14-9(3)20-11/h6H2,1-5H3,(H,13,15,19)
InChIKeyJNGZLVMGUWHZND-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.86
Rot. Bonds3

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

1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 46982167) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID46982167
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nnc(NC(=O)N(C)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C12H18N6OS/c1-7-10(8(2)18(5)16-7)6-17(4)12(19)13-11-15-14-9(3)20-11/h6H2,1-5H3,(H,13,15,19)
InChIKeyJNGZLVMGUWHZND-UHFFFAOYSA-N
XLogP1.86
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196608
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
3-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 121496352
3-(3,4-dimethoxyphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029162
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
N-(5-amino-1,3,4-thiadiazol-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 79515699
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24649219
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide;molecular hydrogen
CID 162747394

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 46982167) is 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nnc(NC(=O)N(C)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is JNGZLVMGUWHZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-7-10(8(2)18(5)16-7)6-17(4)12(19)13-11-15-14-9(3)20-11/h6H2,1-5H3,(H,13,15,19).
What are the key properties of 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 294.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 46982167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).