2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide

C16H15N5O2S — CID 59208370

IUPAC2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2nc3cccc(C(N)=O)c3s2)cn1
InChIInChI=1S/C16H15N5O2S/c1-2-18-16(23)21-12-7-6-9(8-19-12)15-20-11-5-3-4-10(14(17)22)13(11)24-15/h3-8H,2H2,1H3,(H2,17,22)(H2,18,19,21,23)
InChIKeyHRMROSXWRLSVKN-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.60
Rot. Bonds4

About 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide

2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide (PubChem CID 59208370) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide
PubChem CID59208370
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2nc3cccc(C(N)=O)c3s2)cn1
InChIInChI=1S/C16H15N5O2S/c1-2-18-16(23)21-12-7-6-9(8-19-12)15-20-11-5-3-4-10(14(17)22)13(11)24-15/h3-8H,2H2,1H3,(H2,17,22)(H2,18,19,21,23)
InChIKeyHRMROSXWRLSVKN-UHFFFAOYSA-N
XLogP2.60
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide?
The IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide (CID 59208370) is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide.
What is the SMILES notation for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide?
The canonical SMILES for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide is CCNC(=O)Nc1ccc(-c2nc3cccc(C(N)=O)c3s2)cn1.
What is the InChIKey of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide?
The InChIKey is HRMROSXWRLSVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-2-18-16(23)21-12-7-6-9(8-19-12)15-20-11-5-3-4-10(14(17)22)13(11)24-15/h3-8H,2H2,1H3,(H2,17,22)(H2,18,19,21,23).
What are the key properties of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide?
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-benzothiazole-7-carboxamide is sourced from PubChem (CID 59208370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).