methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C18H20N4O4S — CID 155961942

IUPACmethyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)sc1C(C)C
InChIInChI=1S/C18H20N4O4S/c1-9(2)14-13(16(24)26-5)19-17(27-14)20-15(23)10-6-7-11-12(8-10)22(4)18(25)21(11)3/h6-9H,1-5H3,(H,19,20,23)
InChIKeyDUQFHGVQJOAMFQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 155961942) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID155961942
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Namemethyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)sc1C(C)C
InChIInChI=1S/C18H20N4O4S/c1-9(2)14-13(16(24)26-5)19-17(27-14)20-15(23)10-6-7-11-12(8-10)22(4)18(25)21(11)3/h6-9H,1-5H3,(H,19,20,23)
InChIKeyDUQFHGVQJOAMFQ-UHFFFAOYSA-N
XLogP2.50
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 155961942) is methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2ccc3c(c2)n(C)c(=O)n3C)sc1C(C)C.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is DUQFHGVQJOAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-9(2)14-13(16(24)26-5)19-17(27-14)20-15(23)10-6-7-11-12(8-10)22(4)18(25)21(11)3/h6-9H,1-5H3,(H,19,20,23).
What are the key properties of methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 388.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155961942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).