2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide

C13H15N5O3S — CID 59208396

IUPAC2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2ncc(C(=O)NOC)s2)cn1
InChIInChI=1S/C13H15N5O3S/c1-3-14-13(20)17-10-5-4-8(6-15-10)12-16-7-9(22-12)11(19)18-21-2/h4-7H,3H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyZNRDDZHGFXWRCS-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.64
Rot. Bonds5

About 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide

2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide (PubChem CID 59208396) has the molecular formula C13H15N5O3S and a molecular weight of 321.36 g/mol. Its IUPAC name is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
PubChem CID59208396
Molecular FormulaC13H15N5O3S
Molecular Weight321.36 g/mol
Exact Mass321.09
IUPAC Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide
SMILESCCNC(=O)Nc1ccc(-c2ncc(C(=O)NOC)s2)cn1
InChIInChI=1S/C13H15N5O3S/c1-3-14-13(20)17-10-5-4-8(6-15-10)12-16-7-9(22-12)11(19)18-21-2/h4-7H,3H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyZNRDDZHGFXWRCS-UHFFFAOYSA-N
XLogP1.64
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide 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

2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-5-N-propan-2-yl-1,3-thiazole-4,5-dicarboxamide
CID 59208344
5-N-tert-butyl-2-[6-(ethylcarbamoylamino)-3-pyridinyl]-4-N,4-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
CID 59208409
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate
CID 118712299
N-[5-(1,3-thiazol-2-yl)-2-pyridinyl]propanamide
CID 123161282
methyl 2-[2-[[2-(4-aminophenyl)-1,3-thiazole-5-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 169151312
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(4-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337182
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
1-ethyl-3-[3-(6-methoxy-3-pyridinyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 16730610

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide (CID 59208396) is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide is CCNC(=O)Nc1ccc(-c2ncc(C(=O)NOC)s2)cn1.
What is the InChIKey of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide?
The InChIKey is ZNRDDZHGFXWRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3S/c1-3-14-13(20)17-10-5-4-8(6-15-10)12-16-7-9(22-12)11(19)18-21-2/h4-7H,3H2,1-2H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide?
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-methoxy-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59208396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).