3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide

C10H18N4OS2 — CID 103384433

IUPAC3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCSCCC(C)N(C)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H18N4OS2/c1-6(4-5-16-3)14(2)10-7(9(12)15)8(11)13-17-10/h6H,4-5H2,1-3H3,(H2,11,13)(H2,12,15)
InChIKeyFHVHIRURUPCXDP-UHFFFAOYSA-N
MW274.42 g/mol
LogP1.40
Rot. Bonds6

About 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide

3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide (PubChem CID 103384433) has the molecular formula C10H18N4OS2 and a molecular weight of 274.42 g/mol. Its IUPAC name is 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide
PubChem CID103384433
Molecular FormulaC10H18N4OS2
Molecular Weight274.42 g/mol
Exact Mass274.09
IUPAC Name3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide
SMILESCSCCC(C)N(C)c1snc(N)c1C(N)=O
InChIInChI=1S/C10H18N4OS2/c1-6(4-5-16-3)14(2)10-7(9(12)15)8(11)13-17-10/h6H,4-5H2,1-3H3,(H2,11,13)(H2,12,15)
InChIKeyFHVHIRURUPCXDP-UHFFFAOYSA-N
XLogP1.40
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
2-[(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103365140
3-amino-5-[cyclopropylmethyl(ethyl)amino]-1,2-thiazole-4-carboxamide
CID 103381988
3-amino-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103381979
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
3-amino-5-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103383507
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
3-amino-5-[methyl(propyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381563
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-(diethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103381087
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide (CID 103384433) is 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide is CSCCC(C)N(C)c1snc(N)c1C(N)=O.
What is the InChIKey of 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide?
The InChIKey is FHVHIRURUPCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-6(4-5-16-3)14(2)10-7(9(12)15)8(11)13-17-10/h6H,4-5H2,1-3H3,(H2,11,13)(H2,12,15).
What are the key properties of 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide?
3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide has a molecular weight of 274.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(4-methylsulfanylbutan-2-yl)amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).