[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid

C15H13N2O6PS — CID 50992509

IUPAC[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1
InChIInChI=1S/C15H13N2O6PS/c16-15-17-12(10-6-7-11(23-10)24(19,20)21)13(25-15)14(18)22-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,17)(H2,19,20,21)
InChIKeySSEXBHDKTBGKPE-UHFFFAOYSA-N
MW380.32 g/mol
LogP2.15
Rot. Bonds5

About [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid

[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (PubChem CID 50992509) has the molecular formula C15H13N2O6PS and a molecular weight of 380.32 g/mol. Its IUPAC name is [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
PubChem CID50992509
Molecular FormulaC15H13N2O6PS
Molecular Weight380.32 g/mol
Exact Mass380.02
IUPAC Name[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid
SMILESNc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1
InChIInChI=1S/C15H13N2O6PS/c16-15-17-12(10-6-7-11(23-10)24(19,20)21)13(25-15)14(18)22-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,17)(H2,19,20,21)
InChIKeySSEXBHDKTBGKPE-UHFFFAOYSA-N
XLogP2.15
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Managlinat Dialanetil
CID 9811837
Mb-07803
CID 24770445
Mb-05032
CID 11289630
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
{5-[2-Amino-5-(2,2-dimethylpropionyl)thiazol-4-yl]-furan-2-yl}phosphonic acid
CID 24770594
(4-(Furan-2-yl)-2-(furan-2-ylmethylamino)thiazol-5-yl)(phenyl)methanone
CID 25211167
(4-(Furan-2-yl)-2-(methylamino)thiazol-5-yl)(phenyl)methanone
CID 44581364
(4-(Furan-2-yl)-2-(isobutylamino)thiazol-5-yl)(phenyl)methanone
CID 44581365
(4-(Furan-2-yl)-2-(2-methoxyethylamino)thiazol-5-yl)(phenyl)methanone
CID 44581366
(4-(Furan-2-yl)-2-(3-phenylpropylamino)thiazol-5-yl)(phenyl)methanone
CID 44581429
2-Amino-5-phenylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50992507
2-Amino-5-(2-furanyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992650

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The IUPAC name of [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid (CID 50992509) is [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid.
What is the SMILES notation for [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The canonical SMILES for [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)s1.
What is the InChIKey of [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
The InChIKey is SSEXBHDKTBGKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N2O6PS/c16-15-17-12(10-6-7-11(23-10)24(19,20)21)13(25-15)14(18)22-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,16,17)(H2,19,20,21).
What are the key properties of [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid?
[5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid has a molecular weight of 380.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-phenylmethoxycarbonyl-1,3-thiazol-4-yl)furan-2-yl]phosphonic acid is sourced from PubChem (CID 50992509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).