2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid

C12H14N2O3S — CID 80571184

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
SMILESCC(CCc1ccco1)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C12H14N2O3S/c1-8(4-5-9-3-2-6-17-9)14-12-13-7-10(18-12)11(15)16/h2-3,6-8H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCOZIMLRZBUJLQR-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.87
Rot. Bonds6

About 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid

2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80571184) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID80571184
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid
SMILESCC(CCc1ccco1)Nc1ncc(C(=O)O)s1
InChIInChI=1S/C12H14N2O3S/c1-8(4-5-9-3-2-6-17-9)14-12-13-7-10(18-12)11(15)16/h2-3,6-8H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeyCOZIMLRZBUJLQR-UHFFFAOYSA-N
XLogP2.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
CID 63379862
2-[4-(furan-2-yl)butan-2-ylamino]-6-methylpyrimidine-4-carboxylic acid
CID 107553533
2-[4-(furan-2-yl)butan-2-ylamino]-5-methylbenzoic acid
CID 62516226
2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 115545393
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
1-[4-[4-(furan-2-yl)butan-2-ylamino]phenyl]ethanone
CID 115576850
2-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyridine-2,5-diamine
CID 79173050
2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxamide
CID 60726854
2-[4-(furan-2-yl)butan-2-ylamino]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 47018684
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid (CID 80571184) is 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid is CC(CCc1ccco1)Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is COZIMLRZBUJLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(4-5-9-3-2-6-17-9)14-12-13-7-10(18-12)11(15)16/h2-3,6-8H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid?
2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).