1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea

C6H10N3O4PS — CID 4904044

IUPAC1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
SMILESCOP(=O)(NC(=O)Nc1nccs1)OC
InChIInChI=1S/C6H10N3O4PS/c1-12-14(11,13-2)9-5(10)8-6-7-3-4-15-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyPBOJWFSNVMUDSS-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.67
Rot. Bonds4

About 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea

1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea (PubChem CID 4904044) has the molecular formula C6H10N3O4PS and a molecular weight of 251.20 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
PubChem CID4904044
Molecular FormulaC6H10N3O4PS
Molecular Weight251.20 g/mol
Exact Mass251.01
IUPAC Name1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea
SMILESCOP(=O)(NC(=O)Nc1nccs1)OC
InChIInChI=1S/C6H10N3O4PS/c1-12-14(11,13-2)9-5(10)8-6-7-3-4-15-6/h3-4H,1-2H3,(H2,7,8,9,10,11)
InChIKeyPBOJWFSNVMUDSS-UHFFFAOYSA-N
XLogP1.67
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
N-[4-(1,3-thiazol-2-ylcarbamoylamino)phenyl]acetamide
CID 47148362
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-(1,3-thiazol-2-yl)urea
CID 71986302
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
2-hydroxy-4,5-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141049066
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
1-(1-amino-2-methylpropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82508901
N-(4-methoxyphenyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 45000900

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea (CID 4904044) is 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea is COP(=O)(NC(=O)Nc1nccs1)OC.
What is the InChIKey of 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PBOJWFSNVMUDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N3O4PS/c1-12-14(11,13-2)9-5(10)8-6-7-3-4-15-6/h3-4H,1-2H3,(H2,7,8,9,10,11).
What are the key properties of 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea?
1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 251.20 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).