4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine

C10H13N2O2PS — CID 58972127

IUPAC4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(P(C)(C)=O)o1
InChIInChI=1S/C10H13N2O2PS/c1-6-9(12-10(11)16-6)7-4-5-8(14-7)15(2,3)13/h4-5H,1-3H3,(H2,11,12)
InChIKeyVYOYCQRYZVMPRL-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.54
Rot. Bonds2

About 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine

4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 58972127) has the molecular formula C10H13N2O2PS and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID58972127
Molecular FormulaC10H13N2O2PS
Molecular Weight256.27 g/mol
Exact Mass256.04
IUPAC Name4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(P(C)(C)=O)o1
InChIInChI=1S/C10H13N2O2PS/c1-6-9(12-10(11)16-6)7-4-5-8(14-7)15(2,3)13/h4-5H,1-3H3,(H2,11,12)
InChIKeyVYOYCQRYZVMPRL-UHFFFAOYSA-N
XLogP2.54
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
4-(Furan-2-yl)-1,3-thiazol-2-amine
CID 727834
Mb-05032
CID 11289630
N-{[5-(2-amino-1,3-thiazol-4-yl)furan-2-yl]methyl}acetamide
CID 7064095
Bis(furan-2-yl)-1,3-thiazol-2-amine
CID 2428993
5-(2-Amino-5-(propylthio)thiazol-4-yl)furan-2-ylphosphonic acid
CID 20737672
{5-[2-Amino-5-(2,2-dimethylpropionyl)thiazol-4-yl]-furan-2-yl}phosphonic acid
CID 24770594
2-Amino-5-phenylthio-4-[2-(5-phosphono)furanyl]thiazole
CID 50992507
2-Amino-5-benzyloxycarbonyl-4-[2-(5-phosphono)furanyl]-thiazole
CID 50992509
2-Amino-5-(2-furanyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992650
2-Amino-5-(2-thienyl)-4-[2-(5-phosphono)furanyl]thiazole
CID 50992651

Frequently Asked Questions

What is the IUPAC name of 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine (CID 58972127) is 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc(P(C)(C)=O)o1.
What is the InChIKey of 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is VYOYCQRYZVMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O2PS/c1-6-9(12-10(11)16-6)7-4-5-8(14-7)15(2,3)13/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine?
4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 256.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dimethylphosphorylfuran-2-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58972127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).