5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane

C13H18ClN3OS — CID 143930435

IUPAC5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane
SMILESCCc1nc(C(N)=O)c(N)s1.CCl.c1ccccc1
InChIInChI=1S/C6H9N3OS.C6H6.CH3Cl/c1-2-3-9-4(5(7)10)6(8)11-3;1-2-4-6-5-3-1;1-2/h2,8H2,1H3,(H2,7,10);1-6H;1H3
InChIKeyFAPFAGFQMSHYBA-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.93
Rot. Bonds2

About 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane

5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane (PubChem CID 143930435) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane.

Molecular Properties

Compound Name5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane
PubChem CID143930435
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane
SMILESCCc1nc(C(N)=O)c(N)s1.CCl.c1ccccc1
InChIInChI=1S/C6H9N3OS.C6H6.CH3Cl/c1-2-3-9-4(5(7)10)6(8)11-3;1-2-4-6-5-3-1;1-2/h2,8H2,1H3,(H2,7,10);1-6H;1H3
InChIKeyFAPFAGFQMSHYBA-UHFFFAOYSA-N
XLogP2.93
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane?
The IUPAC name of 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane (CID 143930435) is 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane.
What is the SMILES notation for 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane?
The canonical SMILES for 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane is CCc1nc(C(N)=O)c(N)s1.CCl.c1ccccc1.
What is the InChIKey of 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane?
The InChIKey is FAPFAGFQMSHYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS.C6H6.CH3Cl/c1-2-3-9-4(5(7)10)6(8)11-3;1-2-4-6-5-3-1;1-2/h2,8H2,1H3,(H2,7,10);1-6H;1H3.
What are the key properties of 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane?
5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane has a molecular weight of 299.83 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-1,3-thiazole-4-carboxamide;benzene;chloromethane is sourced from PubChem (CID 143930435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).