2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C19H17N5O3S — CID 51044648

IUPAC2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C19H17N5O3S/c1-11-16(17(26)23-18-21-14-7-3-4-8-15(14)22-18)28-19(20-11)24(12(2)25)10-13-6-5-9-27-13/h3-9H,10H2,1-2H3,(H2,21,22,23,26)
InChIKeyITHMXKNSEWJTSB-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.73
Rot. Bonds5

About 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51044648) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51044648
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2nc3ccccc3[nH]2)s1
InChIInChI=1S/C19H17N5O3S/c1-11-16(17(26)23-18-21-14-7-3-4-8-15(14)22-18)28-19(20-11)24(12(2)25)10-13-6-5-9-27-13/h3-9H,10H2,1-2H3,(H2,21,22,23,26)
InChIKeyITHMXKNSEWJTSB-UHFFFAOYSA-N
XLogP3.73
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51049352
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 30709572
2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51043963
2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044326
N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79934420
2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044205
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 35808153
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 51044648) is 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccco1)c1nc(C)c(C(=O)Nc2nc3ccccc3[nH]2)s1.
What is the InChIKey of 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ITHMXKNSEWJTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-11-16(17(26)23-18-21-14-7-3-4-8-15(14)22-18)28-19(20-11)24(12(2)25)10-13-6-5-9-27-13/h3-9H,10H2,1-2H3,(H2,21,22,23,26).
What are the key properties of 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(furan-2-ylmethyl)amino]-N-(1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51044648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).