1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea

C15H18N4OS2 — CID 71925625

IUPAC1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea
SMILESO=C(NC(c1nccs1)C1CC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C15H18N4OS2/c20-15(18-11(9-1-2-9)13-16-5-7-21-13)19-12(10-3-4-10)14-17-6-8-22-14/h5-12H,1-4H2,(H2,18,19,20)
InChIKeyUYYBIRSDWMEIPI-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.50
Rot. Bonds6

About 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea

1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea (PubChem CID 71925625) has the molecular formula C15H18N4OS2 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea
PubChem CID71925625
Molecular FormulaC15H18N4OS2
Molecular Weight334.47 g/mol
Exact Mass334.09
IUPAC Name1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea
SMILESO=C(NC(c1nccs1)C1CC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C15H18N4OS2/c20-15(18-11(9-1-2-9)13-16-5-7-21-13)19-12(10-3-4-10)14-17-6-8-22-14/h5-12H,1-4H2,(H2,18,19,20)
InChIKeyUYYBIRSDWMEIPI-UHFFFAOYSA-N
XLogP3.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea (CID 71925625) is 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea is O=C(NC(c1nccs1)C1CC1)NC(c1nccs1)C1CC1.
What is the InChIKey of 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea?
The InChIKey is UYYBIRSDWMEIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS2/c20-15(18-11(9-1-2-9)13-16-5-7-21-13)19-12(10-3-4-10)14-17-6-8-22-14/h5-12H,1-4H2,(H2,18,19,20).
What are the key properties of 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea?
1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea has a molecular weight of 334.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[cyclopropyl(1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 71925625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).