methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate

C14H14N2O2S — CID 103199626

IUPACmethyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2c2ccccc2)sc1N
InChIInChI=1S/C14H14N2O2S/c1-18-14(17)11-12(15)19-13(16-11)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7,15H2,1H3
InChIKeyUXFIOASDCMSPFB-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.78
Rot. Bonds3

About methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate

methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate (PubChem CID 103199626) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
PubChem CID103199626
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Namemethyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2c2ccccc2)sc1N
InChIInChI=1S/C14H14N2O2S/c1-18-14(17)11-12(15)19-13(16-11)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7,15H2,1H3
InChIKeyUXFIOASDCMSPFB-UHFFFAOYSA-N
XLogP2.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-adamantyl)-5-amino-1,3-thiazole-4-carboxylate
CID 103199638
methyl 5-amino-2-cyclooctyl-1,3-thiazole-4-carboxylate
CID 103199596
methyl 2-(2-phenylcyclopropyl)benzoate
CID 54447263
methyl 5-amino-2-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxylate
CID 103199795
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
CID 74890602
methyl 5-methyl-2-(2-methylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 115422925
methyl 5-amino-2-(2-methylsulfanylphenyl)-1,3-thiazole-4-carboxylate
CID 103199613
methyl 5-amino-2-(1-benzofuran-2-yl)-1,3-thiazole-4-carboxylate
CID 103199790
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
methyl 5-amino-2-(1-methylcyclopentyl)-1,3-thiazole-4-carboxylate
CID 103199747

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate (CID 103199626) is methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CC2c2ccccc2)sc1N.
What is the InChIKey of methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is UXFIOASDCMSPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-14(17)11-12(15)19-13(16-11)10-7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7,15H2,1H3.
What are the key properties of methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate?
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 274.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).