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

C15H16N2O3S — CID 22170596

IUPACmethyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-6-4-5-7-11(10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyJQTWSKSAVZQHTG-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.31
Rot. Bonds4

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

methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate (PubChem CID 22170596) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
PubChem CID22170596
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-6-4-5-7-11(10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18)
InChIKeyJQTWSKSAVZQHTG-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

methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
2-phenoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 22170733
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
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
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 54138651
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
1-(2-chlorophenyl)-3-(5-propan-2-yl-1,3-thiazol-2-yl)urea
CID 22559542

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate (CID 22170596) is methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The InChIKey is JQTWSKSAVZQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9(2)12-8-16-15(21-12)17-13(18)10-6-4-5-7-11(10)14(19)20-3/h4-9H,1-3H3,(H,16,17,18).
What are the key properties of methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate?
methyl 2-[(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 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 22170596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).