benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate

C22H26N4O3S — CID 70835049

IUPACbenzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC1N=C(c2cccnc2)SC1N(C)C(=O)[C@@H](C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N4O3S/c1-15-21(30-19(24-15)18-11-8-12-23-13-18)26(4)20(27)16(2)25(3)22(28)29-14-17-9-6-5-7-10-17/h5-13,15-16,21H,14H2,1-4H3/t15?,16-,21?/m1/s1
InChIKeyLGJRLKPKXHUYKW-ZGOJQLDESA-N
MW426.54 g/mol
LogP3.41
Rot. Bonds6

About benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate

benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 70835049) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID70835049
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Namebenzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC1N=C(c2cccnc2)SC1N(C)C(=O)[C@@H](C)N(C)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26N4O3S/c1-15-21(30-19(24-15)18-11-8-12-23-13-18)26(4)20(27)16(2)25(3)22(28)29-14-17-9-6-5-7-10-17/h5-13,15-16,21H,14H2,1-4H3/t15?,16-,21?/m1/s1
InChIKeyLGJRLKPKXHUYKW-ZGOJQLDESA-N
XLogP3.41
TPSA75.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

2-[methyl(phenylmethoxycarbonyl)amino]-3-pyridin-3-ylpropanoic acid
CID 156690970
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678
benzyl N-methyl-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamate
CID 10383504
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
(2S)-4-methyl-2-[[(2S)-2-[methyl-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanoic acid
CID 175780795
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
[3-methoxy-2-[methyl(phenylmethoxycarbonyl)amino]-3-oxopropyl]azanium chloride
CID 10685811
benzyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 1009034
benzyl N,N-dimethylcarbamate
CID 12963450
(2S)-4-methyl-2-[methyl-[(2S)-4-methyl-2-[[(2S)-2-[methyl-[(2S)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]pentanoic acid
CID 162703978

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate (CID 70835049) is benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate is CC1N=C(c2cccnc2)SC1N(C)C(=O)[C@@H](C)N(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is LGJRLKPKXHUYKW-ZGOJQLDESA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-21(30-19(24-15)18-11-8-12-23-13-18)26(4)20(27)16(2)25(3)22(28)29-14-17-9-6-5-7-10-17/h5-13,15-16,21H,14H2,1-4H3/t15?,16-,21?/m1/s1.
What are the key properties of benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate?
benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 426.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-4,5-dihydro-1,3-thiazol-5-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 70835049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).