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

C16H18N6OS — CID 75519712

IUPAC1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
SMILESCCc1nnc(NC(=O)NCc2cn(C)nc2-c2ccccc2)s1
InChIInChI=1S/C16H18N6OS/c1-3-13-19-20-16(24-13)18-15(23)17-9-12-10-22(2)21-14(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,17,18,20,23)
InChIKeyRWTUTOFWIXKBRU-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.82
Rot. Bonds5

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

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea (PubChem CID 75519712) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
PubChem CID75519712
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea
SMILESCCc1nnc(NC(=O)NCc2cn(C)nc2-c2ccccc2)s1
InChIInChI=1S/C16H18N6OS/c1-3-13-19-20-16(24-13)18-15(23)17-9-12-10-22(2)21-14(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,17,18,20,23)
InChIKeyRWTUTOFWIXKBRU-UHFFFAOYSA-N
XLogP2.82
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199493
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259082
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259014
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
2-[[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]acetyl]amino]acetic acid
CID 107642562
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 6621602
N-benzyl-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 940795
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86987728
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419754
(3R,4R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 124857187
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110890651

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea (CID 75519712) is 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea is CCc1nnc(NC(=O)NCc2cn(C)nc2-c2ccccc2)s1.
What is the InChIKey of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is RWTUTOFWIXKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-3-13-19-20-16(24-13)18-15(23)17-9-12-10-22(2)21-14(12)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,17,18,20,23).
What are the key properties of 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea?
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 342.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(1-methyl-3-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 75519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).