4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane

C9H19N2O3PS — CID 159390747

IUPAC4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
SMILESC.CCOP(=O)(Cc1csc(N)n1)OCC
InChIInChI=1S/C8H15N2O3PS.CH4/c1-3-12-14(11,13-4-2)5-7-6-15-8(9)10-7;/h6H,3-5H2,1-2H3,(H2,9,10);1H4
InChIKeyLMBRLIDQDVCHGJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.13
Rot. Bonds6

About 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane

4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane (PubChem CID 159390747) has the molecular formula C9H19N2O3PS and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane.

Molecular Properties

Compound Name4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
PubChem CID159390747
Molecular FormulaC9H19N2O3PS
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane
SMILESC.CCOP(=O)(Cc1csc(N)n1)OCC
InChIInChI=1S/C8H15N2O3PS.CH4/c1-3-12-14(11,13-4-2)5-7-6-15-8(9)10-7;/h6H,3-5H2,1-2H3,(H2,9,10);1H4
InChIKeyLMBRLIDQDVCHGJ-UHFFFAOYSA-N
XLogP3.13
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethoxy(methyl)phosphoryl]oxymethyl]-1,3-thiazol-2-amine;methane
CID 160840726
4-diethoxyphosphoryl-1,3-thiazol-2-amine
CID 13301434
2-cyclohexyl-4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 154793219
4-(diethoxyphosphorylmethyl)-1,3-thiazole
CID 118075361
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[[ethoxy(methyl)phosphoryl]methyl]-2-methyl-1,3-thiazole
CID 58266067
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
2-(diethoxyphosphorylmethyl)-4-(4-methylphenyl)-1,3-thiazole
CID 166282816
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
1-[(2-amino-1,3-thiazol-4-yl)methyl]-3-ethylimidazol-2-one
CID 80581119
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594

Frequently Asked Questions

What is the IUPAC name of 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane?
The IUPAC name of 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane (CID 159390747) is 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane.
What is the SMILES notation for 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane?
The canonical SMILES for 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane is C.CCOP(=O)(Cc1csc(N)n1)OCC.
What is the InChIKey of 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane?
The InChIKey is LMBRLIDQDVCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2O3PS.CH4/c1-3-12-14(11,13-4-2)5-7-6-15-8(9)10-7;/h6H,3-5H2,1-2H3,(H2,9,10);1H4.
What are the key properties of 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane?
4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane has a molecular weight of 266.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethoxyphosphorylmethyl)-1,3-thiazol-2-amine;methane is sourced from PubChem (CID 159390747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).