1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea

C8H11N3OS — CID 131176329

IUPAC1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
SMILESC=CCN(C)C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3OS/c1-3-5-11(2)8(12)10-7-9-4-6-13-7/h3-4,6H,1,5H2,2H3,(H,9,10,12)
InChIKeyJAUUNWUVRVGTQS-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea

1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 131176329) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
PubChem CID131176329
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
SMILESC=CCN(C)C(=O)Nc1nccs1
InChIInChI=1S/C8H11N3OS/c1-3-5-11(2)8(12)10-7-9-4-6-13-7/h3-4,6H,1,5H2,2H3,(H,9,10,12)
InChIKeyJAUUNWUVRVGTQS-UHFFFAOYSA-N
XLogP1.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 115603490
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
1-methyl-1-nitroso-3-(1,3-thiazol-2-yl)urea;dihydrochloride
CID 174438670
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
CID 139636454
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea (CID 131176329) is 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea is C=CCN(C)C(=O)Nc1nccs1.
What is the InChIKey of 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is JAUUNWUVRVGTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-3-5-11(2)8(12)10-7-9-4-6-13-7/h3-4,6H,1,5H2,2H3,(H,9,10,12).
What are the key properties of 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea?
1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 197.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 131176329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).