methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

C15H18N4O3S — CID 71933404

IUPACmethyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C15H18N4O3S/c1-15(2,17-14(21)22-3)12(20)16-13-19-18-11(23-13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H,16,19,20)
InChIKeyKQKNEIHACFKTPI-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.20
Rot. Bonds5

About methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate

methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 71933404) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID71933404
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Namemethyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1
InChIInChI=1S/C15H18N4O3S/c1-15(2,17-14(21)22-3)12(20)16-13-19-18-11(23-13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H,16,19,20)
InChIKeyKQKNEIHACFKTPI-UHFFFAOYSA-N
XLogP2.20
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide;ethane
CID 123768495
N-(5-benzyl-1,3,4-thiadiazol-2-yl)propanamide
CID 794578
2-methoxy-2-methyl-3-[[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropanoic acid
CID 138033239
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)benzamide
CID 18189580
1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 2852936
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-ethoxyacetamide;hydrochloride
CID 163328991
(3R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352606
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 8696893
2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
CID 119336923
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(2,6-dimethylphenoxy)acetamide
CID 7943874

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 71933404) is methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1.
What is the InChIKey of methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is KQKNEIHACFKTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-15(2,17-14(21)22-3)12(20)16-13-19-18-11(23-13)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,17,21)(H,16,19,20).
What are the key properties of methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate?
methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 334.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 71933404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).