5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C14H14N4OS — CID 39196228

IUPAC5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2ncc(CN)n12
InChIInChI=1S/C14H14N4OS/c1-9-12(13(19)17-10-5-3-2-4-6-10)20-14-16-8-11(7-15)18(9)14/h2-6,8H,7,15H2,1H3,(H,17,19)
InChIKeyVGLJBFRAHSFKRS-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.42
Rot. Bonds3

About 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 39196228) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID39196228
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)sc2ncc(CN)n12
InChIInChI=1S/C14H14N4OS/c1-9-12(13(19)17-10-5-3-2-4-6-10)20-14-16-8-11(7-15)18(9)14/h2-6,8H,7,15H2,1H3,(H,17,19)
InChIKeyVGLJBFRAHSFKRS-UHFFFAOYSA-N
XLogP2.42
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-formyl-3-methyl-N,6-diphenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 82036018
3-ethyl-2-ethylimino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 4968583
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
7-methyl-3-N-(4-methylphenyl)-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426222
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
ethyl (2S)-2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate
CID 1078269
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
butyl 4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)amino]benzoate
CID 19164146
3-N-(4-bromophenyl)-7-methyl-5-oxo-2-N-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide
CID 1426218
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 39196228) is 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccccc2)sc2ncc(CN)n12.
What is the InChIKey of 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is VGLJBFRAHSFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9-12(13(19)17-10-5-3-2-4-6-10)20-14-16-8-11(7-15)18(9)14/h2-6,8H,7,15H2,1H3,(H,17,19).
What are the key properties of 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-methyl-N-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 39196228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).