methyl 2-(propylamino)-1,3-thiazole-5-carboxylate

C8H12N2O2S — CID 19017692

IUPACmethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1ncc(C(=O)OC)s1
InChIInChI=1S/C8H12N2O2S/c1-3-4-9-8-10-5-6(13-8)7(11)12-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyFRZUQUHVWAANIG-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.75
Rot. Bonds4

About methyl 2-(propylamino)-1,3-thiazole-5-carboxylate

methyl 2-(propylamino)-1,3-thiazole-5-carboxylate (PubChem CID 19017692) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-(propylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
PubChem CID19017692
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1ncc(C(=O)OC)s1
InChIInChI=1S/C8H12N2O2S/c1-3-4-9-8-10-5-6(13-8)7(11)12-2/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyFRZUQUHVWAANIG-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(propylamino)-1,3-thiazole-5-carboxylate (CID 19017692) is methyl 2-(propylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(propylamino)-1,3-thiazole-5-carboxylate is CCCNc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is FRZUQUHVWAANIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-4-9-8-10-5-6(13-8)7(11)12-2/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-(propylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(propylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 19017692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).