N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide

C17H17N5O2S — CID 135355707

IUPACN-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=CN(CCc1nc(C(=O)NCc2ccccc2)cs1)c1ncc[nH]1
InChIInChI=1S/C17H17N5O2S/c23-12-22(17-18-7-8-19-17)9-6-15-21-14(11-25-15)16(24)20-10-13-4-2-1-3-5-13/h1-5,7-8,11-12H,6,9-10H2,(H,18,19)(H,20,24)
InChIKeyLUQVFANUUZVGBY-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.00
Rot. Bonds8

About N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 135355707) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID135355707
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC NameN-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=CN(CCc1nc(C(=O)NCc2ccccc2)cs1)c1ncc[nH]1
InChIInChI=1S/C17H17N5O2S/c23-12-22(17-18-7-8-19-17)9-6-15-21-14(11-25-15)16(24)20-10-13-4-2-1-3-5-13/h1-5,7-8,11-12H,6,9-10H2,(H,18,19)(H,20,24)
InChIKeyLUQVFANUUZVGBY-UHFFFAOYSA-N
XLogP2.00
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-pyridin-2-ylbutyl)-1,3-thiazole-4-carboxamide
CID 160926011
N-benzyl-2-[2-(phenylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 129052685
2-[4-(1H-benzimidazol-2-yl)butyl]-N-(1H-imidazol-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 157487861
N-benzyl-2-[[benzyl(cyclopropanecarbonyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 3954335
2-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129067209
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-(2-aminoethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639332
N-benzyl-2-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl]-1,3-thiazole-4-carboxamide
CID 161412485
2-(2-aminoethyl)-N-[(1-benzylcyclobutyl)methyl]-1,3-thiazole-4-carboxamide
CID 120639023
2-(2-aminoethyl)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616033
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
2-(2-aminoethyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120641621

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide (CID 135355707) is N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is O=CN(CCc1nc(C(=O)NCc2ccccc2)cs1)c1ncc[nH]1.
What is the InChIKey of N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LUQVFANUUZVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c23-12-22(17-18-7-8-19-17)9-6-15-21-14(11-25-15)16(24)20-10-13-4-2-1-3-5-13/h1-5,7-8,11-12H,6,9-10H2,(H,18,19)(H,20,24).
What are the key properties of N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[formyl(1H-imidazol-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 135355707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).