5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine

C13H25N3S — CID 120901430

IUPAC5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1cnc(N)s1)CC(C)(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)7-16(9-13(3,4)5)8-11-6-15-12(14)17-11/h6,10H,7-9H2,1-5H3,(H2,14,15)
InChIKeyYUNKSNBHRGBBPO-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.23
Rot. Bonds5

About 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine

5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120901430) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120901430
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)CN(Cc1cnc(N)s1)CC(C)(C)C
InChIInChI=1S/C13H25N3S/c1-10(2)7-16(9-13(3,4)5)8-11-6-15-12(14)17-11/h6,10H,7-9H2,1-5H3,(H2,14,15)
InChIKeyYUNKSNBHRGBBPO-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-methylthiazole
CID 351770
5-(Aminomethyl)-1,3-thiazol-2-amine dihydrochloride
CID 87309190
5-[[cyclobutylmethyl(methyl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 71912730
5-(Aminomethyl)-1,3-thiazol-2-amine
CID 22064894
5-[(3,3-Difluoropyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120902687
5-Methylthiazol-2-amine hydrochloride
CID 18974377
N,N-diethyl-5-methyl-1,3-thiazol-2-amine
CID 59034214
2-amino-N'-methyl-1,3-thiazole-5-carboximidamide
CID 132281874
1,1,3,3-Tetramethyl-2-(5-methyl-1,3-thiazol-2-yl)guanidine
CID 86087507
N,N-diethyl-5-[(2,2,2-trifluoroethylamino)methyl]-1,3-thiazol-2-amine
CID 43755056
N-methyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112013
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55112014

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine (CID 120901430) is 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine is CC(C)CN(Cc1cnc(N)s1)CC(C)(C)C.
What is the InChIKey of 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YUNKSNBHRGBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10(2)7-16(9-13(3,4)5)8-11-6-15-12(14)17-11/h6,10H,7-9H2,1-5H3,(H2,14,15).
What are the key properties of 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-dimethylpropyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120901430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).