1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C8H13N3O2S — CID 47196994

IUPAC1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC(C)CO)s1
InChIInChI=1S/C8H13N3O2S/c1-5(4-12)10-7(13)11-8-9-3-6(2)14-8/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyXEFRTMJDZYFNRQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.95
Rot. Bonds3

About 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47196994) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID47196994
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC(C)CO)s1
InChIInChI=1S/C8H13N3O2S/c1-5(4-12)10-7(13)11-8-9-3-6(2)14-8/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyXEFRTMJDZYFNRQ-UHFFFAOYSA-N
XLogP0.95
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61191664
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
3-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 81085421
2-chloro-N-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]propanamide
CID 43146246
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 22970811

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 47196994) is 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NC(C)CO)s1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is XEFRTMJDZYFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(4-12)10-7(13)11-8-9-3-6(2)14-8/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 215.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47196994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).