3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide

C8H14N4O2S — CID 103382715

IUPAC3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCCO
InChIInChI=1S/C8H14N4O2S/c1-10-7(14)5-6(9)12-15-8(5)11-3-2-4-13/h11,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyKQWKJGLCOBJCAV-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.12
Rot. Bonds5

About 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103382715) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103382715
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)c1c(N)nsc1NCCCO
InChIInChI=1S/C8H14N4O2S/c1-10-7(14)5-6(9)12-15-8(5)11-3-2-4-13/h11,13H,2-4H2,1H3,(H2,9,12)(H,10,14)
InChIKeyKQWKJGLCOBJCAV-UHFFFAOYSA-N
XLogP-0.12
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
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-(2-methoxyethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382263
methyl 3-amino-5-(3-hydroxypropylamino)-1,2-thiazole-4-carboxylate
CID 103382712
3-amino-N-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carboxamide
CID 103380124
3-amino-5-(5-hydroxypentylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107324527
3-amino-N-methyl-5-(2,2,2-trifluoroethylamino)-1,2-thiazole-4-carboxamide
CID 103382526
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 106259045
3-amino-N-methyl-5-(2-thiomorpholin-4-ylethylamino)-1,2-thiazole-4-carboxamide
CID 106327720
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide (CID 103382715) is 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide is CNC(=O)c1c(N)nsc1NCCCO.
What is the InChIKey of 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is KQWKJGLCOBJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-10-7(14)5-6(9)12-15-8(5)11-3-2-4-13/h11,13H,2-4H2,1H3,(H2,9,12)(H,10,14).
What are the key properties of 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).