4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane

C18H24N4O3S — CID 143933501

IUPAC4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane
SMILESCC.CC.Cc1nc(CC(=O)Nc2nc3ccccc3[nH]2)c(C(=O)O)s1
InChIInChI=1S/C14H12N4O3S.2C2H6/c1-7-15-10(12(22-7)13(20)21)6-11(19)18-14-16-8-4-2-3-5-9(8)17-14;2*1-2/h2-5H,6H2,1H3,(H,20,21)(H2,16,17,18,19);2*1-2H3
InChIKeyHCJKMXDYXPLLEF-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.26
Rot. Bonds4

About 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane

4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane (PubChem CID 143933501) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane
PubChem CID143933501
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane
SMILESCC.CC.Cc1nc(CC(=O)Nc2nc3ccccc3[nH]2)c(C(=O)O)s1
InChIInChI=1S/C14H12N4O3S.2C2H6/c1-7-15-10(12(22-7)13(20)21)6-11(19)18-14-16-8-4-2-3-5-9(8)17-14;2*1-2/h2-5H,6H2,1H3,(H,20,21)(H2,16,17,18,19);2*1-2H3
InChIKeyHCJKMXDYXPLLEF-UHFFFAOYSA-N
XLogP4.26
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 60565943
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
4-[2-[(2-ethylpyrazol-3-yl)amino]-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919702
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
CID 63184543
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-(1H-benzimidazol-2-yl)pent-4-enamide
CID 62867234

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane?
The IUPAC name of 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane (CID 143933501) is 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane is CC.CC.Cc1nc(CC(=O)Nc2nc3ccccc3[nH]2)c(C(=O)O)s1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane?
The InChIKey is HCJKMXDYXPLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S.2C2H6/c1-7-15-10(12(22-7)13(20)21)6-11(19)18-14-16-8-4-2-3-5-9(8)17-14;2*1-2/h2-5H,6H2,1H3,(H,20,21)(H2,16,17,18,19);2*1-2H3.
What are the key properties of 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane?
4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane has a molecular weight of 376.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-methyl-1,3-thiazole-5-carboxylic acid;ethane is sourced from PubChem (CID 143933501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).