N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C19H15N5O2S — CID 41377838

IUPACN-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nn1cnc2ccccc21
InChIInChI=1S/C19H15N5O2S/c25-17(23-24-12-20-15-8-4-5-9-16(15)24)10-14-11-27-19(21-14)22-18(26)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,25)(H,21,22,26)
InChIKeyCLGDNBKPGCWMTE-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.06
Rot. Bonds5

About N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41377838) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41377838
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)Nn1cnc2ccccc21
InChIInChI=1S/C19H15N5O2S/c25-17(23-24-12-20-15-8-4-5-9-16(15)24)10-14-11-27-19(21-14)22-18(26)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,25)(H,21,22,26)
InChIKeyCLGDNBKPGCWMTE-UHFFFAOYSA-N
XLogP3.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[4-[2-(ethoxyamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18169150
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CID 35983863
N-[4-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 36568162
N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47928469
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
N-[4-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830380
N-[4-[2-oxo-2-(2-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 41377838) is N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nn1cnc2ccccc21.
What is the InChIKey of N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CLGDNBKPGCWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-17(23-24-12-20-15-8-4-5-9-16(15)24)10-14-11-27-19(21-14)22-18(26)13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,23,25)(H,21,22,26).
What are the key properties of N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 377.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzimidazol-1-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41377838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).