(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide

C16H21N3OS — CID 95208947

IUPAC(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
SMILESCNC(=O)[C@@H](C)N(C)Cc1cnc(-c2ccccc2C)s1
InChIInChI=1S/C16H21N3OS/c1-11-7-5-6-8-14(11)16-18-9-13(21-16)10-19(4)12(2)15(20)17-3/h5-9,12H,10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyDFGZWKFTFWDTIC-GFCCVEGCSA-N
MW303.43 g/mol
LogP2.68
Rot. Bonds5

About (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide

(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide (PubChem CID 95208947) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
PubChem CID95208947
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide
SMILESCNC(=O)[C@@H](C)N(C)Cc1cnc(-c2ccccc2C)s1
InChIInChI=1S/C16H21N3OS/c1-11-7-5-6-8-14(11)16-18-9-13(21-16)10-19(4)12(2)15(20)17-3/h5-9,12H,10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyDFGZWKFTFWDTIC-GFCCVEGCSA-N
XLogP2.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115091825
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 50969385
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 94135740
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 56785620
2-[methyl-[[2-(2-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122036926
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
2-[methyl-[(2-methylphenyl)methyl]amino]propanehydrazide
CID 63585176
ethyl 2-(2-methylphenyl)-1,3-thiazole-5-carboxylate
CID 91757223
dioxomanganese;2-(2-methylphenyl)-1,3-thiazole-5-carbaldehyde;[2-(2-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 167702682
3-[(3aR,6aS)-5-acetyl-2-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]propanoic acid
CID 170506561
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide?
The IUPAC name of (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide (CID 95208947) is (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide?
The canonical SMILES for (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide is CNC(=O)[C@@H](C)N(C)Cc1cnc(-c2ccccc2C)s1.
What is the InChIKey of (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide?
The InChIKey is DFGZWKFTFWDTIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-7-5-6-8-14(11)16-18-9-13(21-16)10-19(4)12(2)15(20)17-3/h5-9,12H,10H2,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide?
(2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide has a molecular weight of 303.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[methyl-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]amino]propanamide is sourced from PubChem (CID 95208947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).