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

C10H17N3O2S — CID 116674050

IUPACpropyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(N)c(C(=O)OCCC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-5-12-10-13-8(11)7(16-10)9(14)15-6-4-2/h3-6,11H2,1-2H3,(H,12,13)
InChIKeyKPPVJEJTKUACPL-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.11
Rot. Bonds6

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

propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate (PubChem CID 116674050) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
PubChem CID116674050
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Namepropyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(N)c(C(=O)OCCC)s1
InChIInChI=1S/C10H17N3O2S/c1-3-5-12-10-13-8(11)7(16-10)9(14)15-6-4-2/h3-6,11H2,1-2H3,(H,12,13)
InChIKeyKPPVJEJTKUACPL-UHFFFAOYSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 116674040
propyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674047
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-[(4-methylcyclohexyl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665988

Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate (CID 116674050) is propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate is CCCNc1nc(N)c(C(=O)OCCC)s1.
What is the InChIKey of propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is KPPVJEJTKUACPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-5-12-10-13-8(11)7(16-10)9(14)15-6-4-2/h3-6,11H2,1-2H3,(H,12,13).
What are the key properties of propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate?
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 243.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 116674050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).