N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine

C11H16N4S2 — CID 91842152

IUPACN-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)Cc2nc(C)cs2)cs1
InChIInChI=1S/C11H16N4S2/c1-8-6-16-10(13-8)5-15(3)4-9-7-17-11(12-2)14-9/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyXLFHAPOPIPMBBZ-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine

N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 91842152) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID91842152
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC NameN-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)Cc2nc(C)cs2)cs1
InChIInChI=1S/C11H16N4S2/c1-8-6-16-10(13-8)5-15(3)4-9-7-17-11(12-2)14-9/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyXLFHAPOPIPMBBZ-UHFFFAOYSA-N
XLogP2.58
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 118771225
2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 79673929
1-[4-[(dimethylamino)methyl]thiophen-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 74243022
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanenitrile
CID 78993770
4-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-ol
CID 111427238
5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91836050
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
N-[(2-hydrazinyl-1,3-thiazol-4-yl)methyl]-N-methylethanamine
CID 130552869
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine (CID 91842152) is N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine is CNc1nc(CN(C)Cc2nc(C)cs2)cs1.
What is the InChIKey of N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is XLFHAPOPIPMBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-8-6-16-10(13-8)5-15(3)4-9-7-17-11(12-2)14-9/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine?
N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91842152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).