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

C11H14N6OS — CID 166244061

IUPAC1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)Nc2nc(C3CC3)ns2)cn1
InChIInChI=1S/C11H14N6OS/c1-17-6-7(5-13-17)4-12-10(18)15-11-14-9(16-19-11)8-2-3-8/h5-6,8H,2-4H2,1H3,(H2,12,14,15,16,18)
InChIKeyMLBWMJWTSNUCEN-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.47
Rot. Bonds4

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

1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 166244061) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID166244061
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)Nc2nc(C3CC3)ns2)cn1
InChIInChI=1S/C11H14N6OS/c1-17-6-7(5-13-17)4-12-10(18)15-11-14-9(16-19-11)8-2-3-8/h5-6,8H,2-4H2,1H3,(H2,12,14,15,16,18)
InChIKeyMLBWMJWTSNUCEN-UHFFFAOYSA-N
XLogP1.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276713
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
(1S,2S,3S,4R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 171336960
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopiperidin-4-yl)methyl]urea
CID 154847218
1-(4-bromo-2,6-dimethylphenyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 47375852
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
6-chloro-N-[(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 103187169

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 166244061) is 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)Nc2nc(C3CC3)ns2)cn1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is MLBWMJWTSNUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-17-6-7(5-13-17)4-12-10(18)15-11-14-9(16-19-11)8-2-3-8/h5-6,8H,2-4H2,1H3,(H2,12,14,15,16,18).
What are the key properties of 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 278.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 166244061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).