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

C14H18N4OS — CID 47199493

IUPAC1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCc2ccccc2C)s1
InChIInChI=1S/C14H18N4OS/c1-3-6-12-17-18-14(20-12)16-13(19)15-9-11-8-5-4-7-10(11)2/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,16,18,19)
InChIKeyRVINRNKDGXZRGP-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.12
Rot. Bonds5

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

1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 47199493) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID47199493
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCCc1nnc(NC(=O)NCc2ccccc2C)s1
InChIInChI=1S/C14H18N4OS/c1-3-6-12-17-18-14(20-12)16-13(19)15-9-11-8-5-4-7-10(11)2/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,16,18,19)
InChIKeyRVINRNKDGXZRGP-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 86987720
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
2-naphthalen-1-yl-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 55540384
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86987728
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
1-[(6-chloro-3-pyridinyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 87009229
1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyridin-2-ylurea
CID 110491785
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
1-[(6-methyl-2-pyridinyl)methyl]-3-(5-pentyl-1,3,4-thiadiazol-2-yl)urea
CID 87009129
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 110890926
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 146128553
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea (CID 47199493) is 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is CCCc1nnc(NC(=O)NCc2ccccc2C)s1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is RVINRNKDGXZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-6-12-17-18-14(20-12)16-13(19)15-9-11-8-5-4-7-10(11)2/h4-5,7-8H,3,6,9H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea?
1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 290.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 47199493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).