1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

C15H18N4O2S — CID 71874143

IUPAC1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)NC(CCO)C1CC1
InChIInChI=1S/C15H18N4O2S/c20-8-7-13(10-1-2-10)17-15(21)16-12-5-3-11(4-6-12)14-9-22-19-18-14/h3-6,9-10,13,20H,1-2,7-8H2,(H2,16,17,21)
InChIKeySICPQNIDKFZNDW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.49
Rot. Bonds6

About 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea

1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 71874143) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID71874143
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csnn2)cc1)NC(CCO)C1CC1
InChIInChI=1S/C15H18N4O2S/c20-8-7-13(10-1-2-10)17-15(21)16-12-5-3-11(4-6-12)14-9-22-19-18-14/h3-6,9-10,13,20H,1-2,7-8H2,(H2,16,17,21)
InChIKeySICPQNIDKFZNDW-UHFFFAOYSA-N
XLogP2.49
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 71874143) is 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csnn2)cc1)NC(CCO)C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is SICPQNIDKFZNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c20-8-7-13(10-1-2-10)17-15(21)16-12-5-3-11(4-6-12)14-9-22-19-18-14/h3-6,9-10,13,20H,1-2,7-8H2,(H2,16,17,21).
What are the key properties of 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 318.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-3-hydroxypropyl)-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 71874143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).