1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea

C9H15N3O3S — CID 86827257

IUPAC1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCOCC(O)CN(C)C(=O)Nc1nccs1
InChIInChI=1S/C9H15N3O3S/c1-12(5-7(13)6-15-2)9(14)11-8-10-3-4-16-8/h3-4,7,13H,5-6H2,1-2H3,(H,10,11,14)
InChIKeyAZWXVPAFGSZOTL-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.61
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea

1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 86827257) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
PubChem CID86827257
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCOCC(O)CN(C)C(=O)Nc1nccs1
InChIInChI=1S/C9H15N3O3S/c1-12(5-7(13)6-15-2)9(14)11-8-10-3-4-16-8/h3-4,7,13H,5-6H2,1-2H3,(H,10,11,14)
InChIKeyAZWXVPAFGSZOTL-UHFFFAOYSA-N
XLogP0.61
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86837352
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
3-(1,3-benzothiazol-2-ylmethyl)-1-[(2S)-2-hydroxy-3-methoxypropyl]-1-methylurea
CID 95133735
3-(3,5-difluoro-4-methoxyphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 86837784
1-methyl-1-nitroso-3-(1,3-thiazol-2-yl)urea;dihydrochloride
CID 174438670
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
3-(2-tert-butylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903895

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea (CID 86827257) is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea is COCC(O)CN(C)C(=O)Nc1nccs1.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is AZWXVPAFGSZOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-12(5-7(13)6-15-2)9(14)11-8-10-3-4-16-8/h3-4,7,13H,5-6H2,1-2H3,(H,10,11,14).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea?
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 245.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 86827257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).