1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid

C14H14N2O2S — CID 87836323

IUPAC1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H14N2O2S/c1-8-6-14(8,12(17)18)10-4-2-9(3-5-10)11-7-19-13(15)16-11/h2-5,7-8H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDIMAUYHRPREJEC-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.75
Rot. Bonds3

About 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid

1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid (PubChem CID 87836323) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid
PubChem CID87836323
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C14H14N2O2S/c1-8-6-14(8,12(17)18)10-4-2-9(3-5-10)11-7-19-13(15)16-11/h2-5,7-8H,6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyDIMAUYHRPREJEC-UHFFFAOYSA-N
XLogP2.75
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
CID 86620276
4-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 88812082
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-chloropyrrolidin-2-one
CID 168689905
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
S-[[1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668930
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid (CID 87836323) is 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid is CC1CC1(C(=O)O)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is DIMAUYHRPREJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-6-14(8,12(17)18)10-4-2-9(3-5-10)11-7-19-13(15)16-11/h2-5,7-8H,6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid?
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 87836323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).