2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

C12H17N3O3S — CID 114162848

IUPAC2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESNC(=O)CCCCNc1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C12H17N3O3S/c13-9(16)3-1-2-6-14-12-15-10-7(11(17)18)4-5-8(10)19-12/h7H,1-6H2,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyGFKNVFTXNLEPEQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.33
Rot. Bonds7

About 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (PubChem CID 114162848) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
PubChem CID114162848
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
SMILESNC(=O)CCCCNc1nc2c(s1)CCC2C(=O)O
InChIInChI=1S/C12H17N3O3S/c13-9(16)3-1-2-6-14-12-15-10-7(11(17)18)4-5-8(10)19-12/h7H,1-6H2,(H2,13,16)(H,14,15)(H,17,18)
InChIKeyGFKNVFTXNLEPEQ-UHFFFAOYSA-N
XLogP1.33
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylsulfamoyl)ethylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106343051
2-(2,2,3,3-tetrafluoropropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 106296034
2-(2-phenylpropylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 104592490
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395741
2-[(2-methylthiolan-2-yl)methylamino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395819
2-[(1-ethoxy-1-oxopropan-2-yl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395742
(4R)-2-benzamido-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 42281824
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
2-(1H-imidazol-5-ylmethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 113395811
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655
2-[(2-cyclohexylacetyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylic acid
CID 59681868

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The IUPAC name of 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid (CID 114162848) is 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is NC(=O)CCCCNc1nc2c(s1)CCC2C(=O)O.
What is the InChIKey of 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
The InChIKey is GFKNVFTXNLEPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-9(16)3-1-2-6-14-12-15-10-7(11(17)18)4-5-8(10)19-12/h7H,1-6H2,(H2,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid?
2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-5-oxopentyl)amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid is sourced from PubChem (CID 114162848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).