5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide

C6H9ClN3O2PS — CID 18938086

IUPAC5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide
SMILESCc1c(C(=O)NP(N)(N)=O)csc1Cl
InChIInChI=1S/C6H9ClN3O2PS/c1-3-4(2-14-5(3)7)6(11)10-13(8,9)12/h2H,1H3,(H5,8,9,10,11,12)
InChIKeyAPSZESQPOLAOKD-UHFFFAOYSA-N
MW253.65 g/mol
LogP1.47
Rot. Bonds2

About 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide

5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide (PubChem CID 18938086) has the molecular formula C6H9ClN3O2PS and a molecular weight of 253.65 g/mol. Its IUPAC name is 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide
PubChem CID18938086
Molecular FormulaC6H9ClN3O2PS
Molecular Weight253.65 g/mol
Exact Mass252.98
IUPAC Name5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide
SMILESCc1c(C(=O)NP(N)(N)=O)csc1Cl
InChIInChI=1S/C6H9ClN3O2PS/c1-3-4(2-14-5(3)7)6(11)10-13(8,9)12/h2H,1H3,(H5,8,9,10,11,12)
InChIKeyAPSZESQPOLAOKD-UHFFFAOYSA-N
XLogP1.47
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The IUPAC name of 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide (CID 18938086) is 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The canonical SMILES for 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide is Cc1c(C(=O)NP(N)(N)=O)csc1Cl.
What is the InChIKey of 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
The InChIKey is APSZESQPOLAOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN3O2PS/c1-3-4(2-14-5(3)7)6(11)10-13(8,9)12/h2H,1H3,(H5,8,9,10,11,12).
What are the key properties of 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide?
5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide has a molecular weight of 253.65 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-diaminophosphoryl-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 18938086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).