[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate

C15H16N2O4S — CID 56665238

IUPAC[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate
SMILESCC(=O)OCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1
InChIInChI=1S/C15H16N2O4S/c1-8-11(6-10(21-8)7-20-9(2)18)14(19)17-15-16-12-4-3-5-13(12)22-15/h6H,3-5,7H2,1-2H3,(H,16,17,19)
InChIKeyATHWNELISWSOLZ-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.85
Rot. Bonds4

About [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate

[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate (PubChem CID 56665238) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate
PubChem CID56665238
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate
SMILESCC(=O)OCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1
InChIInChI=1S/C15H16N2O4S/c1-8-11(6-10(21-8)7-20-9(2)18)14(19)17-15-16-12-4-3-5-13(12)22-15/h6H,3-5,7H2,1-2H3,(H,16,17,19)
InChIKeyATHWNELISWSOLZ-UHFFFAOYSA-N
XLogP2.85
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 146080268
5-amino-2-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 120619567
4-amino-5-chloro-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 119700477
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 33040958
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629
5-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methylbenzamide;hydrochloride
CID 120624908
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
5-ethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-carboxamide
CID 17191195
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4-difluorobenzamide
CID 26723073
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)benzamide
CID 62176858
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-bromo-3,4,5-trimethoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 1179187

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate?
The IUPAC name of [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate (CID 56665238) is [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate.
What is the SMILES notation for [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate?
The canonical SMILES for [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate is CC(=O)OCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1.
What is the InChIKey of [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate?
The InChIKey is ATHWNELISWSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-8-11(6-10(21-8)7-20-9(2)18)14(19)17-15-16-12-4-3-5-13(12)22-15/h6H,3-5,7H2,1-2H3,(H,16,17,19).
What are the key properties of [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate?
[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate has a molecular weight of 320.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)-5-methylfuran-2-yl]methyl acetate is sourced from PubChem (CID 56665238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).