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

C13H19N3O2S — CID 71925622

IUPAC1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NC(c1nccs1)C1CC1)N(CCO)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-7-6-16(10-3-4-10)13(18)15-11(9-1-2-9)12-14-5-8-19-12/h5,8-11,17H,1-4,6-7H2,(H,15,18)
InChIKeyPEFPBBMLEXFMOO-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.76
Rot. Bonds6

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

1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea (PubChem CID 71925622) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
PubChem CID71925622
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea
SMILESO=C(NC(c1nccs1)C1CC1)N(CCO)C1CC1
InChIInChI=1S/C13H19N3O2S/c17-7-6-16(10-3-4-10)13(18)15-11(9-1-2-9)12-14-5-8-19-12/h5,8-11,17H,1-4,6-7H2,(H,15,18)
InChIKeyPEFPBBMLEXFMOO-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 97048827
1-(cyclobutylmethyl)-3-[(R)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-methylurea
CID 95968026
3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(3-ethylsulfanylcyclopentyl)-1-methylurea
CID 71920732
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]amino]ethanol
CID 46785170
1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 96534331
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111506905
3-[cyclohexyl(phenyl)methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110896590
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 111540388
N-[2-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]ethyl]cyclopentanecarboxamide
CID 97219025
4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
N-[[4-[(S)-acetamido(1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclohexanecarboxamide
CID 98077180

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea (CID 71925622) is 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea is O=C(NC(c1nccs1)C1CC1)N(CCO)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
The InChIKey is PEFPBBMLEXFMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-7-6-16(10-3-4-10)13(18)15-11(9-1-2-9)12-14-5-8-19-12/h5,8-11,17H,1-4,6-7H2,(H,15,18).
What are the key properties of 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea?
1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea has a molecular weight of 281.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 71925622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).