ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate

C11H15N3O3S — CID 60669660

IUPACethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H15N3O3S/c1-2-17-9(15)6-12-10(16)14-11-13-7-4-3-5-8(7)18-11/h2-6H2,1H3,(H2,12,13,14,16)
InChIKeyNBCJHTBZKVNOCC-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.32
Rot. Bonds4

About ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate

ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate (PubChem CID 60669660) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
PubChem CID60669660
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Nameethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C11H15N3O3S/c1-2-17-9(15)6-12-10(16)14-11-13-7-4-3-5-8(7)18-11/h2-6H2,1H3,(H2,12,13,14,16)
InChIKeyNBCJHTBZKVNOCC-UHFFFAOYSA-N
XLogP1.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66176793
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)-2-methylbutanoic acid
CID 79801356
1-[(4-methylphenyl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 20966617
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylpentanamide
CID 54963199
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)methyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea
CID 138027518
ethyl 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 42948294
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 79805203
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate (CID 60669660) is ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate is CCOC(=O)CNC(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate?
The InChIKey is NBCJHTBZKVNOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-2-17-9(15)6-12-10(16)14-11-13-7-4-3-5-8(7)18-11/h2-6H2,1H3,(H2,12,13,14,16).
What are the key properties of ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate?
ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate has a molecular weight of 269.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoylamino)acetate is sourced from PubChem (CID 60669660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).