ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate

C9H14N2O2S — CID 824437

IUPACethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(N)sc1C(=O)OCC
InChIInChI=1S/C9H14N2O2S/c1-3-5-6-7(8(12)13-4-2)14-9(10)11-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyJTRJDESRRBKKDQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.85
Rot. Bonds4

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

ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate (PubChem CID 824437) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
PubChem CID824437
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1nc(N)sc1C(=O)OCC
InChIInChI=1S/C9H14N2O2S/c1-3-5-6-7(8(12)13-4-2)14-9(10)11-6/h3-5H2,1-2H3,(H2,10,11)
InChIKeyJTRJDESRRBKKDQ-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-methylthiazole-5-carboxylate
CID 343747
Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 824436
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 824452
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
CID 1488168
Methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
CID 46738915
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
Methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
CID 75449176
Methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 735005
2-Amino-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 23436450
Methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 32639824
Methyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 45089529
Ethyl 2-methyl-4-propyl-1,3-thiazole-5-carboxylate
CID 56737794

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate (CID 824437) is ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate is CCCc1nc(N)sc1C(=O)OCC.
What is the InChIKey of ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is JTRJDESRRBKKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-5-6-7(8(12)13-4-2)14-9(10)11-6/h3-5H2,1-2H3,(H2,10,11).
What are the key properties of ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 824437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).