5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

C14H19N3S — CID 79772479

IUPAC5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cnc(N)s1
InChIInChI=1S/C14H19N3S/c1-11(2)17(9-12-6-4-3-5-7-12)10-13-8-16-14(15)18-13/h3-8,11H,9-10H2,1-2H3,(H2,15,16)
InChIKeyVOPJPPCGKFDGJM-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.14
Rot. Bonds5

About 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine

5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772479) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79772479
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cnc(N)s1
InChIInChI=1S/C14H19N3S/c1-11(2)17(9-12-6-4-3-5-7-12)10-13-8-16-14(15)18-13/h3-8,11H,9-10H2,1-2H3,(H2,15,16)
InChIKeyVOPJPPCGKFDGJM-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120897590
5-[[(4-nitrophenyl)methyl-propan-2-ylamino]methyl]-1,3-thiazol-2-amine
CID 120899158
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120900910
5-[[benzyl(propan-2-yl)amino]methyl]pyrimidine-2,4-diamine
CID 82213905
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[[methyl-[(4-methylsulfonylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900901
5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120904904
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine (CID 79772479) is 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is CC(C)N(Cc1ccccc1)Cc1cnc(N)s1.
What is the InChIKey of 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is VOPJPPCGKFDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11(2)17(9-12-6-4-3-5-7-12)10-13-8-16-14(15)18-13/h3-8,11H,9-10H2,1-2H3,(H2,15,16).
What are the key properties of 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).