1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea

C14H14N6OS — CID 47038916

IUPAC1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C14H14N6OS/c21-13(15-9-11-6-7-16-18-11)17-14-20-19-12(22-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,15,17,20,21)
InChIKeyWJRZKQXCVHIVAX-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.17
Rot. Bonds5

About 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea

1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 47038916) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID47038916
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea
SMILESO=C(NCc1ccn[nH]1)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C14H14N6OS/c21-13(15-9-11-6-7-16-18-11)17-14-20-19-12(22-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,15,17,20,21)
InChIKeyWJRZKQXCVHIVAX-UHFFFAOYSA-N
XLogP2.17
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991
1-(1H-pyrazol-5-ylmethyl)-3-pyridin-2-ylurea
CID 51084990
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
4-amino-N-(5-benzyl-1,3,4-thiadiazol-2-yl)butanamide
CID 39182812
N-(5-benzyl-1,3,4-thiadiazol-2-yl)pyrazine-2-carboxamide
CID 860501
1-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 39733189
[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]carbamic acid
CID 68739824
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-N'-hydroxyoctanediamide
CID 56944887
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea (CID 47038916) is 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea is O=C(NCc1ccn[nH]1)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is WJRZKQXCVHIVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(15-9-11-6-7-16-18-11)17-14-20-19-12(22-14)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)(H2,15,17,20,21).
What are the key properties of 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea?
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 314.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 47038916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).