1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

C13H16N4OS — CID 47386673

IUPAC1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCC(C)CNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H16N4OS/c1-9(2)7-14-13(18)15-11-5-3-10(4-6-11)12-8-19-17-16-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15,18)
InChIKeyFGPPBTZVTBSRCB-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 47386673) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID47386673
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCC(C)CNC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C13H16N4OS/c1-9(2)7-14-13(18)15-11-5-3-10(4-6-11)12-8-19-17-16-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15,18)
InChIKeyFGPPBTZVTBSRCB-UHFFFAOYSA-N
XLogP2.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiadiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 2739181
N1-[4-(1,2,3-thiadiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 2739183
N-(2,6-dimethylphenyl)-N'-{2-[(4-methyl-1,2,3-thiadiazol-5-yl)sulfanyl]ethyl}urea
CID 3719814
1-Hexyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 42646083
N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 47386684
N-[4-({Methyl[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]amino}methyl)phenyl]acetamide
CID 50953439
3-pyrrolidin-1-yl-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 53614230
N-tert-butyl-2-[[4-(thiadiazol-4-yl)phenyl]carbamoylamino]propanamide
CID 53618792
1-(1-Cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 71874143
N-[4-(thiadiazol-4-yl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 71878887
3-[[ethyl(methyl)amino]methyl]-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 71978355
3-(ethoxymethyl)-N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
CID 71980700

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 47386673) is 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is CC(C)CNC(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is FGPPBTZVTBSRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)7-14-13(18)15-11-5-3-10(4-6-11)12-8-19-17-16-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 276.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 47386673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).