propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate

C8H13N3O2S — CID 116674040

IUPACpropyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCCOC(=O)c1sc(NC)nc1N
InChIInChI=1S/C8H13N3O2S/c1-3-4-13-7(12)5-6(9)11-8(10-2)14-5/h3-4,9H2,1-2H3,(H,10,11)
InChIKeyKRFKFJLLFHRHDU-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.33
Rot. Bonds4

About propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate

propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate (PubChem CID 116674040) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
PubChem CID116674040
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Namepropyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCCOC(=O)c1sc(NC)nc1N
InChIInChI=1S/C8H13N3O2S/c1-3-4-13-7(12)5-6(9)11-8(10-2)14-5/h3-4,9H2,1-2H3,(H,10,11)
InChIKeyKRFKFJLLFHRHDU-UHFFFAOYSA-N
XLogP1.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674047
diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
CID 27277044
propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041
4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665199
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(3-propoxypiperidin-1-yl)methanone
CID 116664218
4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029168
4-amino-N-[2-(2-methoxyethyl)phenyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 102909079
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116664274
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664607
4-amino-N-(3-hydroxypropyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665439

Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate (CID 116674040) is propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate is CCCOC(=O)c1sc(NC)nc1N.
What is the InChIKey of propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is KRFKFJLLFHRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-13-7(12)5-6(9)11-8(10-2)14-5/h3-4,9H2,1-2H3,(H,10,11).
What are the key properties of propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate?
propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 215.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 116674040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).