ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate

C11H16N2O2S — CID 80569140

IUPACethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CC2(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-4-15-9(14)7-6-16-10(12-7)13-8-5-11(8,2)3/h6,8H,4-5H2,1-3H3,(H,12,13)
InChIKeyKGXCXLQDNFDQHA-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.53
Rot. Bonds4

About ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80569140) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80569140
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC2CC2(C)C)n1
InChIInChI=1S/C11H16N2O2S/c1-4-15-9(14)7-6-16-10(12-7)13-8-5-11(8,2)3/h6,8H,4-5H2,1-3H3,(H,12,13)
InChIKeyKGXCXLQDNFDQHA-UHFFFAOYSA-N
XLogP2.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 80569564
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1,3-thiazole-4-carboxylate
CID 80568379
ethyl 2-[(1-propan-2-ylcyclopropyl)methylamino]-1,3-thiazole-4-carboxylate
CID 114114672
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
ethyl 2-[[3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-4-carboxylate
CID 80568319
ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
ethyl 2-ethynyl-1,3-thiazole-4-carboxylate;rubidium(1+)
CID 59110522
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate (CID 80569140) is ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC2CC2(C)C)n1.
What is the InChIKey of ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is KGXCXLQDNFDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-4-15-9(14)7-6-16-10(12-7)13-8-5-11(8,2)3/h6,8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-dimethylcyclopropyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).