2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid

C12H15N3O3S — CID 79276940

IUPAC2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H15N3O3S/c1-2-6-15(7-10(16)17)12(18)14-11-13-8-4-3-5-9(8)19-11/h2H,1,3-7H2,(H,16,17)(H,13,14,18)
InChIKeyMNMXWXDANVKHLJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.74
Rot. Bonds5

About 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid

2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid (PubChem CID 79276940) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid
PubChem CID79276940
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)Nc1nc2c(s1)CCC2
InChIInChI=1S/C12H15N3O3S/c1-2-6-15(7-10(16)17)12(18)14-11-13-8-4-3-5-9(8)19-11/h2H,1,3-7H2,(H,16,17)(H,13,14,18)
InChIKeyMNMXWXDANVKHLJ-UHFFFAOYSA-N
XLogP1.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264171
2-[prop-2-enyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
CID 79276710
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825086
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095264
N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 4584055
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
cis-(1S,2R)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 94226301
2-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)furan-3-carboxamide
CID 106686629

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid (CID 79276940) is 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)C(=O)Nc1nc2c(s1)CCC2.
What is the InChIKey of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
The InChIKey is MNMXWXDANVKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-2-6-15(7-10(16)17)12(18)14-11-13-8-4-3-5-9(8)19-11/h2H,1,3-7H2,(H,16,17)(H,13,14,18).
What are the key properties of 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid?
2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid has a molecular weight of 281.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79276940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).