N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

C12H23N3S — CID 62255905

IUPACN,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)Cc1csc(C)n1
InChIInChI=1S/C12H23N3S/c1-10-14-11(7-16-10)6-15(5)9-12(2,3)8-13-4/h7,13H,6,8-9H2,1-5H3
InChIKeyZYLYWGXMJASDSO-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.13
Rot. Bonds6

About N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine

N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 62255905) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
PubChem CID62255905
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)Cc1csc(C)n1
InChIInChI=1S/C12H23N3S/c1-10-14-11(7-16-10)6-15(5)9-12(2,3)8-13-4/h7,13H,6,8-9H2,1-5H3
InChIKeyZYLYWGXMJASDSO-UHFFFAOYSA-N
XLogP2.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
1-N-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylpropane-1,2-diamine
CID 62487917
N,N'-dimethyl-2-methylidene-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 103070174
1-N,5,5-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]hexane-1,3-diamine
CID 113497174
potassium trifluoro-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]boranuide
CID 63704903
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86812794
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
1-N,4,4-trimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,3-diamine
CID 62622999
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729
N-methyl-4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 62209431
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089

Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine (CID 62255905) is N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is CNCC(C)(C)CN(C)Cc1csc(C)n1.
What is the InChIKey of N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is ZYLYWGXMJASDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10-14-11(7-16-10)6-15(5)9-12(2,3)8-13-4/h7,13H,6,8-9H2,1-5H3.
What are the key properties of N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine?
N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2-tetramethyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62255905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).