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

C15H21N3S — CID 120897590

IUPAC5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(Cc1ccccc1)Cc1cnc(N)s1
InChIInChI=1S/C15H21N3S/c1-3-12(2)18(10-13-7-5-4-6-8-13)11-14-9-17-15(16)19-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17)
InChIKeyCVBNFPOUYREVMB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.53
Rot. Bonds6

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

5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 120897590) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID120897590
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCC(C)N(Cc1ccccc1)Cc1cnc(N)s1
InChIInChI=1S/C15H21N3S/c1-3-12(2)18(10-13-7-5-4-6-8-13)11-14-9-17-15(16)19-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17)
InChIKeyCVBNFPOUYREVMB-UHFFFAOYSA-N
XLogP3.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
5-[[(4-nitrophenyl)methyl-propan-2-ylamino]methyl]-1,3-thiazol-2-amine
CID 120899158
methyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(1-phenylpropyl)amino]acetate
CID 120901542
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120904904
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(2-methylphenyl)propanamide
CID 120904023
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[[2-methoxypropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 120900910
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-[[2-phenylethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899245

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine (CID 120897590) is 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine is CCC(C)N(Cc1ccccc1)Cc1cnc(N)s1.
What is the InChIKey of 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is CVBNFPOUYREVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-12(2)18(10-13-7-5-4-6-8-13)11-14-9-17-15(16)19-14/h4-9,12H,3,10-11H2,1-2H3,(H2,16,17).
What are the key properties of 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine?
5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(butan-2-yl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120897590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).