ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate

C10H15N3O2S — CID 116674025

IUPACethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C10H15N3O2S/c1-2-15-9(14)7-8(11)13-10(16-7)12-6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyZQRDRSKRCZIMMZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.87
Rot. Bonds4

About ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate

ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate (PubChem CID 116674025) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
PubChem CID116674025
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Nameethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C10H15N3O2S/c1-2-15-9(14)7-8(11)13-10(16-7)12-6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13)
InChIKeyZQRDRSKRCZIMMZ-UHFFFAOYSA-N
XLogP1.87
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-2-(cyclobutylamino)-N-(3-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 106332505
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 116666308
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116672821
4-amino-2-(cyclobutylamino)-N-(4-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116667273
4-amino-2-(cyclopropylamino)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116666277
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116668483

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate (CID 116674025) is ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is ZQRDRSKRCZIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-15-9(14)7-8(11)13-10(16-7)12-6-4-3-5-6/h6H,2-5,11H2,1H3,(H,12,13).
What are the key properties of ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 241.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 116674025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).