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

C7H10N2O2S — CID 58670395

IUPACpropyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCCCOC(=O)c1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-2-3-11-6(10)5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyNBMVHMYIMJDFEE-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.29
Rot. Bonds3

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

propyl 2-amino-1,3-thiazole-4-carboxylate (PubChem CID 58670395) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is propyl 2-amino-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-1,3-thiazole-4-carboxylate
PubChem CID58670395
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namepropyl 2-amino-1,3-thiazole-4-carboxylate
SMILESCCCOC(=O)c1csc(N)n1
InChIInChI=1S/C7H10N2O2S/c1-2-3-11-6(10)5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKeyNBMVHMYIMJDFEE-UHFFFAOYSA-N
XLogP1.29
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-1,3-thiazole-4-carboxylate;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158338935
1-(2-amino-1,3-thiazol-4-yl)butan-1-one
CID 13040576
ethyl 2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 59799123
1-(2-amino-1,3-thiazol-4-yl)ethanone
CID 3111964
1-(2-amino-1,3-thiazol-4-yl)hexan-1-one
CID 102530242
propyl 1,3-thiazole-4-carboxylate
CID 62038839
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
octyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate
CID 66379955
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
ethyl 2-[(Z)-[2-amino-1-(2-amino-1,3-thiazol-4-yl)-2-oxoethylidene]amino]oxypropanoate
CID 173401753
(3-methoxyphenyl)methyl 2-amino-1,3-thiazole-4-carboxylate
CID 175547229
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-1,3-thiazole-4-carboxylate?
The IUPAC name of propyl 2-amino-1,3-thiazole-4-carboxylate (CID 58670395) is propyl 2-amino-1,3-thiazole-4-carboxylate.
What is the SMILES notation for propyl 2-amino-1,3-thiazole-4-carboxylate?
The canonical SMILES for propyl 2-amino-1,3-thiazole-4-carboxylate is CCCOC(=O)c1csc(N)n1.
What is the InChIKey of propyl 2-amino-1,3-thiazole-4-carboxylate?
The InChIKey is NBMVHMYIMJDFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-3-11-6(10)5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9).
What are the key properties of propyl 2-amino-1,3-thiazole-4-carboxylate?
propyl 2-amino-1,3-thiazole-4-carboxylate has a molecular weight of 186.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58670395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).