2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

C17H19N5OS — CID 110511444

IUPAC2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H19N5OS/c1-4-13-15(24-17(18)20-13)16(23)21-19-9-12-10(2)22(3)14-8-6-5-7-11(12)14/h5-9H,4H2,1-3H3,(H2,18,20)(H,21,23)/b19-9-
InChIKeyPTIKEIHPPQKPKT-OCKHKDLRSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds4

About 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 110511444) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
PubChem CID110511444
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(N)sc1C(=O)N/N=C\c1c(C)n(C)c2ccccc12
InChIInChI=1S/C17H19N5OS/c1-4-13-15(24-17(18)20-13)16(23)21-19-9-12-10(2)22(3)14-8-6-5-7-11(12)14/h5-9H,4H2,1-3H3,(H2,18,20)(H,21,23)/b19-9-
InChIKeyPTIKEIHPPQKPKT-OCKHKDLRSA-N
XLogP2.85
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-ethyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511354
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
2-amino-4-ethyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazole-5-carboxamide
CID 110511394
2-amino-N-[(Z)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 110511422
2-amino-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide
CID 136787337
2-amino-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 7240387
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
2-(4-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide (CID 110511444) is 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is CCc1nc(N)sc1C(=O)N/N=C\c1c(C)n(C)c2ccccc12.
What is the InChIKey of 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PTIKEIHPPQKPKT-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-4-13-15(24-17(18)20-13)16(23)21-19-9-12-10(2)22(3)14-8-6-5-7-11(12)14/h5-9H,4H2,1-3H3,(H2,18,20)(H,21,23)/b19-9-.
What are the key properties of 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110511444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).