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

C16H22N4OS — CID 119883845

IUPAC2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
SMILESCN(Cc1cccc(NC(=O)C(C)(C)N)c1)Cc1cscn1
InChIInChI=1S/C16H22N4OS/c1-16(2,17)15(21)19-13-6-4-5-12(7-13)8-20(3)9-14-10-22-11-18-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,19,21)
InChIKeyXHJITFCCNOXQPZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.45
Rot. Bonds6

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

2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide (PubChem CID 119883845) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
PubChem CID119883845
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
SMILESCN(Cc1cccc(NC(=O)C(C)(C)N)c1)Cc1cscn1
InChIInChI=1S/C16H22N4OS/c1-16(2,17)15(21)19-13-6-4-5-12(7-13)8-20(3)9-14-10-22-11-18-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,19,21)
InChIKeyXHJITFCCNOXQPZ-UHFFFAOYSA-N
XLogP2.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883865
2,2-dimethyl-4-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]anilino]-4-oxobutanoic acid
CID 119133833
3-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-3-phenylpropanamide
CID 119883855
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
8-chloro-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 155964076
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzonitrile
CID 54942854
3-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 55012359
3-chloro-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]-5-nitropyridin-2-amine
CID 133309856
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide (CID 119883845) is 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide is CN(Cc1cccc(NC(=O)C(C)(C)N)c1)Cc1cscn1.
What is the InChIKey of 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
The InChIKey is XHJITFCCNOXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-16(2,17)15(21)19-13-6-4-5-12(7-13)8-20(3)9-14-10-22-11-18-14/h4-7,10-11H,8-9,17H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide?
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide has a molecular weight of 318.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 119883845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).