N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C13H18N4O3S — CID 142530814

IUPACN-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCCOCCO)n(C)c2nc(C)sc12
InChIInChI=1S/C13H18N4O3S/c1-8-16-12-11(21-8)9(7-14)10(17(12)2)13(19)15-3-5-20-6-4-18/h7,14,18H,3-6H2,1-2H3,(H,15,19)/b14-7+
InChIKeyZASFNHRMVRCGQN-VGOFMYFVSA-N
MW310.38 g/mol
LogP0.68
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 142530814) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID142530814
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCCOCCO)n(C)c2nc(C)sc12
InChIInChI=1S/C13H18N4O3S/c1-8-16-12-11(21-8)9(7-14)10(17(12)2)13(19)15-3-5-20-6-4-18/h7,14,18H,3-6H2,1-2H3,(H,15,19)/b14-7+
InChIKeyZASFNHRMVRCGQN-VGOFMYFVSA-N
XLogP0.68
TPSA100.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 142530814) is N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide is [H]/N=C/c1c(C(=O)NCCOCCO)n(C)c2nc(C)sc12.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is ZASFNHRMVRCGQN-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-16-12-11(21-8)9(7-14)10(17(12)2)13(19)15-3-5-20-6-4-18/h7,14,18H,3-6H2,1-2H3,(H,15,19)/b14-7+.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-6-methanimidoyl-2,4-dimethylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 142530814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).