2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide

C16H22N4OS — CID 119779606

IUPAC2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Nc2nc(C)cs2)cc1
InChIInChI=1S/C16H22N4OS/c1-4-10(2)14(17)15(21)19-12-5-7-13(8-6-12)20-16-18-11(3)9-22-16/h5-10,14H,4,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMPESMTJISPXACW-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.51
Rot. Bonds6

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

2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide (PubChem CID 119779606) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
PubChem CID119779606
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(Nc2nc(C)cs2)cc1
InChIInChI=1S/C16H22N4OS/c1-4-10(2)14(17)15(21)19-12-5-7-13(8-6-12)20-16-18-11(3)9-22-16/h5-10,14H,4,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyMPESMTJISPXACW-UHFFFAOYSA-N
XLogP3.51
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
(2S)-2-amino-N-(4-tert-butylphenyl)-3-methylpentanamide
CID 22690860
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanamide;hydrochloride
CID 119321233
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530
(2S,3S)-2-amino-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 61157071
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide (CID 119779606) is 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide is CCC(C)C(N)C(=O)Nc1ccc(Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide?
The InChIKey is MPESMTJISPXACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-4-10(2)14(17)15(21)19-12-5-7-13(8-6-12)20-16-18-11(3)9-22-16/h5-10,14H,4,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide?
2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide has a molecular weight of 318.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide is sourced from PubChem (CID 119779606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).