(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide

C15H20N4OS — CID 119883865

IUPAC(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1
InChIInChI=1S/C15H20N4OS/c1-11(16)15(20)18-13-5-3-4-12(6-13)7-19(2)8-14-9-21-10-17-14/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyDQSZESXCDRPUKE-LLVKDONJSA-N
MW304.42 g/mol
LogP2.06
Rot. Bonds6

About (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide

(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide (PubChem CID 119883865) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
PubChem CID119883865
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1
InChIInChI=1S/C15H20N4OS/c1-11(16)15(20)18-13-5-3-4-12(6-13)7-19(2)8-14-9-21-10-17-14/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyDQSZESXCDRPUKE-LLVKDONJSA-N
XLogP2.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
CID 119883855
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845
2,2-dimethyl-4-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]anilino]-4-oxobutanoic acid
CID 119133833
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-4-phenylsulfanylbutanamide
CID 86934519
N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119032677
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
8-chloro-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 155964076
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-[1-(oxolan-3-yl)ethyl]aniline
CID 119050601
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628154
N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide (CID 119883865) is (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide is C[C@@H](N)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1.
What is the InChIKey of (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The InChIKey is DQSZESXCDRPUKE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(16)15(20)18-13-5-3-4-12(6-13)7-19(2)8-14-9-21-10-17-14/h3-6,9-11H,7-8,16H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 119883865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).