2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide

C18H25N4O2S+ — CID 7098101

IUPAC2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)cc1
InChIInChI=1S/C18H24N4O2S/c1-14-3-5-15(6-4-14)20-18-21-16(13-25-18)17(23)19-7-2-8-22-9-11-24-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)/p+1
InChIKeyZWACMYYIRSHNGO-UHFFFAOYSA-O
MW361.49 g/mol
LogP1.23
Rot. Bonds7

About 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide

2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 7098101) has the molecular formula C18H25N4O2S+ and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID7098101
Molecular FormulaC18H25N4O2S+
Molecular Weight361.49 g/mol
Exact Mass361.17
IUPAC Name2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)cc1
InChIInChI=1S/C18H24N4O2S/c1-14-3-5-15(6-4-14)20-18-21-16(13-25-18)17(23)19-7-2-8-22-9-11-24-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)/p+1
InChIKeyZWACMYYIRSHNGO-UHFFFAOYSA-O
XLogP1.23
TPSA67.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 6965930
2-(4-morpholin-4-ylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 117080609
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide
CID 7028281
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
N-[(4-methylphenyl)methyl]-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955220
2-[(4-methylphenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948332

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide (CID 7098101) is 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZWACMYYIRSHNGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N4O2S/c1-14-3-5-15(6-4-14)20-18-21-16(13-25-18)17(23)19-7-2-8-22-9-11-24-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)/p+1.
What are the key properties of 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 7098101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).