2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C14H19N5O3S — CID 122093196

IUPAC2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2snc(C)c2C#N)C1
InChIInChI=1S/C14H19N5O3S/c1-3-19(7-12(20)21)10-4-9(5-10)16-14(22)17-13-11(6-15)8(2)18-23-13/h9-10H,3-5,7H2,1-2H3,(H,20,21)(H2,16,17,22)
InChIKeyWBYWFCQSEUNOOY-UHFFFAOYSA-N
MW337.41 g/mol
LogP1.38
Rot. Bonds6

About 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122093196) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122093196
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)Nc2snc(C)c2C#N)C1
InChIInChI=1S/C14H19N5O3S/c1-3-19(7-12(20)21)10-4-9(5-10)16-14(22)17-13-11(6-15)8(2)18-23-13/h9-10H,3-5,7H2,1-2H3,(H,20,21)(H2,16,17,22)
InChIKeyWBYWFCQSEUNOOY-UHFFFAOYSA-N
XLogP1.38
TPSA118.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089582
2-[ethyl-[3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074660
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[ethyl-[3-[(6-methyl-2-pyridinyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089391
2-[[3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073682
2-[[3-[(4-chlorophenyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122073561
2-[ethyl-[3-[(4-methylthiophen-3-yl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122012121
2-[ethyl-[3-[(3-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073438
2-[[3-[(4-cyano-6-methylpyrimidin-2-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061743
2-[ethyl-[3-[(6-methyl-1,3-benzodioxol-5-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122089238
2-[ethyl-[3-[(1-methylcyclopropyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122005006
2-[ethyl-[3-(thieno[3,2-d][1,3]thiazol-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122084973

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122093196) is 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)Nc2snc(C)c2C#N)C1.
What is the InChIKey of 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is WBYWFCQSEUNOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-19(7-12(20)21)10-4-9(5-10)16-14(22)17-13-11(6-15)8(2)18-23-13/h9-10H,3-5,7H2,1-2H3,(H,20,21)(H2,16,17,22).
What are the key properties of 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 337.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122093196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).