5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine

C15H22N3O3PS — CID 139600034

IUPAC5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)OP(=O)(Cc1nnc(Nc2ccccc2)s1)OC(C)C
InChIInChI=1S/C15H22N3O3PS/c1-11(2)20-22(19,21-12(3)4)10-14-17-18-15(23-14)16-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)
InChIKeyRCCRWZAVQNNZHU-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.82
Rot. Bonds8

About 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 139600034) has the molecular formula C15H22N3O3PS and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID139600034
Molecular FormulaC15H22N3O3PS
Molecular Weight355.40 g/mol
Exact Mass355.11
IUPAC Name5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESCC(C)OP(=O)(Cc1nnc(Nc2ccccc2)s1)OC(C)C
InChIInChI=1S/C15H22N3O3PS/c1-11(2)20-22(19,21-12(3)4)10-14-17-18-15(23-14)16-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18)
InChIKeyRCCRWZAVQNNZHU-UHFFFAOYSA-N
XLogP4.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96666799
5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 11289585
methyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 42971507
N-[(S)-(5-anilino-1,3,4-thiadiazol-2-yl)-diethoxyphosphorylmethyl]benzamide
CID 39868584
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
methyl (2S,3R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-3-methylpentanoate
CID 8848874
6-[(5-anilino-1,3,4-thiadiazol-2-yl)methoxy]-4,7-dimethylchromen-2-one
CID 4164462
3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 71574591
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 2646531
1-[di(propan-2-yloxy)phosphorylmethyl]-2-ethenylbenzene
CID 87506474
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791

Frequently Asked Questions

What is the IUPAC name of 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 139600034) is 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine is CC(C)OP(=O)(Cc1nnc(Nc2ccccc2)s1)OC(C)C.
What is the InChIKey of 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RCCRWZAVQNNZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O3PS/c1-11(2)20-22(19,21-12(3)4)10-14-17-18-15(23-14)16-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H,16,18).
What are the key properties of 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 355.40 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 139600034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).