4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide

C12H22N4O2S — CID 116663250

IUPAC4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(CCC)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-3-5-14-12-15-10(13)9(19-12)11(18)16(6-4-2)7-8-17/h17H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXGAOJFSYSTYAII-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.39
Rot. Bonds8

About 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663250) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663250
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(CCC)CCO)s1
InChIInChI=1S/C12H22N4O2S/c1-3-5-14-12-15-10(13)9(19-12)11(18)16(6-4-2)7-8-17/h17H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyXGAOJFSYSTYAII-UHFFFAOYSA-N
XLogP1.39
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-N-cyclobutyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665374

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116663250) is 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)N(CCC)CCO)s1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is XGAOJFSYSTYAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-3-5-14-12-15-10(13)9(19-12)11(18)16(6-4-2)7-8-17/h17H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).