3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide

C8H14N4O2S — CID 103382771

IUPAC3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNc1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O2S/c1-14-4-2-3-11-8-5(7(10)13)6(9)12-15-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyFQOXCSNYICRUOR-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.27
Rot. Bonds6

About 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide

3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103382771) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
PubChem CID103382771
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
SMILESCOCCCNc1snc(N)c1C(N)=O
InChIInChI=1S/C8H14N4O2S/c1-14-4-2-3-11-8-5(7(10)13)6(9)12-15-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13)
InChIKeyFQOXCSNYICRUOR-UHFFFAOYSA-N
XLogP0.27
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104
3-amino-5-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1,2-thiazole-4-carboxamide
CID 114113452
3-amino-5-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363859
methyl 3-amino-5-(3-hydroxypropylamino)-1,2-thiazole-4-carboxylate
CID 103382712
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
methyl 3-amino-5-(octylamino)-1,2-thiazole-4-carboxylate
CID 103383798
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide (CID 103382771) is 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide is COCCCNc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is FQOXCSNYICRUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-14-4-2-3-11-8-5(7(10)13)6(9)12-15-8/h11H,2-4H2,1H3,(H2,9,12)(H2,10,13).
What are the key properties of 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 230.29 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).