methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate

C15H16N2O3S — CID 22170458

IUPACmethyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFVJKLORXJVXHJJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.31
Rot. Bonds4

About methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate

methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate (PubChem CID 22170458) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
PubChem CID22170458
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyFVJKLORXJVXHJJ-UHFFFAOYSA-N
XLogP3.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170596
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
4-cyclohex-2-en-1-yloxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170550
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate (CID 22170458) is methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1.
What is the InChIKey of methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The InChIKey is FVJKLORXJVXHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-4-6-11(7-5-10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate has a molecular weight of 304.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 22170458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).