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

C13H19N3O2S — CID 84585467

IUPAC1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-8-13(3-4-13)7-15-12(18)16-10(9-1-2-9)11-14-5-6-19-11/h5-6,9-10,17H,1-4,7-8H2,(H2,15,16,18)
InChIKeyMLNGYMUXOKIBSW-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.67
Rot. Bonds6

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

1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 84585467) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID84585467
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESO=C(NCC1(CO)CC1)NC(c1nccs1)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-8-13(3-4-13)7-15-12(18)16-10(9-1-2-9)11-14-5-6-19-11/h5-6,9-10,17H,1-4,7-8H2,(H2,15,16,18)
InChIKeyMLNGYMUXOKIBSW-UHFFFAOYSA-N
XLogP1.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 84585467) is 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is O=C(NCC1(CO)CC1)NC(c1nccs1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is MLNGYMUXOKIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-8-13(3-4-13)7-15-12(18)16-10(9-1-2-9)11-14-5-6-19-11/h5-6,9-10,17H,1-4,7-8H2,(H2,15,16,18).
What are the key properties of 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 281.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 84585467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).