benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate

C15H18N4O3S — CID 54404466

IUPACbenzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCC(C)C(N)C(=O)N(C(=O)OCc1ccccc1)c1nncs1
InChIInChI=1S/C15H18N4O3S/c1-10(2)12(16)13(20)19(14-18-17-9-23-14)15(21)22-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3
InChIKeyVPRRZZWTMQDXOL-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.19
Rot. Bonds5

About benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate

benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 54404466) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate
PubChem CID54404466
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Namebenzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCC(C)C(N)C(=O)N(C(=O)OCc1ccccc1)c1nncs1
InChIInChI=1S/C15H18N4O3S/c1-10(2)12(16)13(20)19(14-18-17-9-23-14)15(21)22-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3
InChIKeyVPRRZZWTMQDXOL-UHFFFAOYSA-N
XLogP2.19
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

pyridin-4-ylmethyl N-[(2S)-2-amino-3-methylbutanoyl]-N-[(2S)-5-[[(2S)-2-amino-3-methylbutanoyl]-(pyridin-4-ylmethoxycarbonyl)amino]-3,4-dihydroxy-1,6-diphenylhexan-2-yl]carbamate
CID 57242588
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
(1-oxo-1-phenylmethoxypropan-2-yl) 2-amino-3-methylbutanoate
CID 59575428
benzyl N-[(2S,3S)-2-amino-3-methylpentanoyl]-N-methoxycarbamate
CID 22868379
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl (2R,3S)-2-amino-3-phenylmethoxybutanoate
CID 7019780
2-[bis(phenylmethoxycarbonyl)amino]propanoic acid
CID 18466015
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]-methylamino]-3-phenylmethoxypropanoic acid
CID 71421904
pyridin-3-ylmethyl N-[(5S)-5-amino-3,4-dihydroxy-1,6-diphenylhexan-2-yl]-N-[(2S)-2-amino-3-methylbutanoyl]carbamate
CID 57203441
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate (CID 54404466) is benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate is CC(C)C(N)C(=O)N(C(=O)OCc1ccccc1)c1nncs1.
What is the InChIKey of benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is VPRRZZWTMQDXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(2)12(16)13(20)19(14-18-17-9-23-14)15(21)22-8-11-6-4-3-5-7-11/h3-7,9-10,12H,8,16H2,1-2H3.
What are the key properties of benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate?
benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 334.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-amino-3-methylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 54404466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).