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

C9H16N4OS — CID 103380049

IUPAC3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(C)CNc1snc(N)c1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-3-5(2)4-12-9-6(8(11)14)7(10)13-15-9/h5,12H,3-4H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyCDWIPWDTLCIUAL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.28
Rot. Bonds5

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

3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103380049) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
PubChem CID103380049
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
SMILESCCC(C)CNc1snc(N)c1C(N)=O
InChIInChI=1S/C9H16N4OS/c1-3-5(2)4-12-9-6(8(11)14)7(10)13-15-9/h5,12H,3-4H2,1-2H3,(H2,10,13)(H2,11,14)
InChIKeyCDWIPWDTLCIUAL-UHFFFAOYSA-N
XLogP1.28
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-N-methyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]-1,2-thiazole-4-carboxamide
CID 103381250
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
ethyl 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-1,2-thiazole-4-carboxylate
CID 106174655
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
3-amino-5-(2,2-difluoroethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383675
methyl 3-amino-5-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,2-thiazole-4-carboxylate
CID 103380113
methyl 3-amino-5-(2,2-difluoroethylamino)-1,2-thiazole-4-carboxylate
CID 103383670

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide (CID 103380049) is 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide is CCC(C)CNc1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is CDWIPWDTLCIUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-5(2)4-12-9-6(8(11)14)7(10)13-15-9/h5,12H,3-4H2,1-2H3,(H2,10,13)(H2,11,14).
What are the key properties of 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide?
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).