N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine

C10H19N3OS2 — CID 115632590

IUPACN,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNCCS(C)=O
InChIInChI=1S/C10H19N3OS2/c1-8-9(7-11-5-6-16(4)14)15-10(12-8)13(2)3/h11H,5-7H2,1-4H3
InChIKeyWMXXXKYBDLNWDW-UHFFFAOYSA-N
MW261.42 g/mol
LogP0.99
Rot. Bonds6

About N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine

N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115632590) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115632590
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC NameN,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNCCS(C)=O
InChIInChI=1S/C10H19N3OS2/c1-8-9(7-11-5-6-16(4)14)15-10(12-8)13(2)3/h11H,5-7H2,1-4H3
InChIKeyWMXXXKYBDLNWDW-UHFFFAOYSA-N
XLogP0.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 115732929
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111114578
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N,N,4-trimethyl-5-[[(2-methylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 115614563
3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
CID 111629696
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768224
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
2-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79019725

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine (CID 115632590) is N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1CNCCS(C)=O.
What is the InChIKey of N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is WMXXXKYBDLNWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-8-9(7-11-5-6-16(4)14)15-10(12-8)13(2)3/h11H,5-7H2,1-4H3.
What are the key properties of N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 261.42 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115632590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).