ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate

C9H14N2O2S — CID 824436

IUPACethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(C)C
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)7-6(5(2)3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeySAYUBFVIKXSBTI-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 824436) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID824436
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(C)C
InChIInChI=1S/C9H14N2O2S/c1-4-13-8(12)7-6(5(2)3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11)
InChIKeySAYUBFVIKXSBTI-UHFFFAOYSA-N
XLogP2.03
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 824436) is ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1C(C)C.
What is the InChIKey of ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is SAYUBFVIKXSBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-13-8(12)7-6(5(2)3)11-9(10)14-7/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 824436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).