1-(4-methylthiadiazol-5-yl)-3-propylurea

C7H12N4OS — CID 4541789

IUPAC1-(4-methylthiadiazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1snnc1C
InChIInChI=1S/C7H12N4OS/c1-3-4-8-7(12)9-6-5(2)10-11-13-6/h3-4H2,1-2H3,(H2,8,9,12)
InChIKeyHUPIEPJFDVVALC-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.38
Rot. Bonds3

About 1-(4-methylthiadiazol-5-yl)-3-propylurea

1-(4-methylthiadiazol-5-yl)-3-propylurea (PubChem CID 4541789) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is 1-(4-methylthiadiazol-5-yl)-3-propylurea.

Molecular Properties

Compound Name1-(4-methylthiadiazol-5-yl)-3-propylurea
PubChem CID4541789
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name1-(4-methylthiadiazol-5-yl)-3-propylurea
SMILESCCCNC(=O)Nc1snnc1C
InChIInChI=1S/C7H12N4OS/c1-3-4-8-7(12)9-6-5(2)10-11-13-6/h3-4H2,1-2H3,(H2,8,9,12)
InChIKeyHUPIEPJFDVVALC-UHFFFAOYSA-N
XLogP1.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Methyl[1,2,3]thiadiazol-5-ylcarbamoyl)amino]propionic acid
CID 129877193
(4-Methyl[1,2,3]thiadiazol-5-ylcarbamoyl)aminoacetic acid
CID 129877363
1-Methyl-3-[4-(trifluoromethyl)thiadiazol-5-yl]urea
CID 134096795
(4-Methylthiadiazol-5-yl)urea
CID 70510727
N-(4-methylthiadiazol-5-yl)formamide
CID 174548107
1-Methyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidin-2-one
CID 55078272
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazolidin-2-one
CID 62491865
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazolidin-2-one
CID 62492044
1-[[5-(Methylamino)thiadiazol-4-yl]methyl]-3-propylimidazol-2-one
CID 80583088
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylimidazol-2-one
CID 80583166
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
CID 80583167
1-Ethyl-3-[[5-(ethylamino)thiadiazol-4-yl]methyl]imidazol-2-one
CID 80583204

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiadiazol-5-yl)-3-propylurea?
The IUPAC name of 1-(4-methylthiadiazol-5-yl)-3-propylurea (CID 4541789) is 1-(4-methylthiadiazol-5-yl)-3-propylurea.
What is the SMILES notation for 1-(4-methylthiadiazol-5-yl)-3-propylurea?
The canonical SMILES for 1-(4-methylthiadiazol-5-yl)-3-propylurea is CCCNC(=O)Nc1snnc1C.
What is the InChIKey of 1-(4-methylthiadiazol-5-yl)-3-propylurea?
The InChIKey is HUPIEPJFDVVALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-4-8-7(12)9-6-5(2)10-11-13-6/h3-4H2,1-2H3,(H2,8,9,12).
What are the key properties of 1-(4-methylthiadiazol-5-yl)-3-propylurea?
1-(4-methylthiadiazol-5-yl)-3-propylurea has a molecular weight of 200.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiadiazol-5-yl)-3-propylurea is sourced from PubChem (CID 4541789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).