methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate

C11H16ClN3O3S — CID 80625299

IUPACmethyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H16ClN3O3S/c1-7(2)6-15(5-4-8(16)18-3)10(17)9-13-14-11(12)19-9/h7H,4-6H2,1-3H3
InChIKeyFOJCCKUKATYQRI-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.85
Rot. Bonds6

About methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate

methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate (PubChem CID 80625299) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
PubChem CID80625299
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Namemethyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C11H16ClN3O3S/c1-7(2)6-15(5-4-8(16)18-3)10(17)9-13-14-11(12)19-9/h7H,4-6H2,1-3H3
InChIKeyFOJCCKUKATYQRI-UHFFFAOYSA-N
XLogP1.85
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate with MolForge

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Related Compounds

N-(2-amino-2-oxoethyl)-5-chloro-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625287
methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 80619441
methyl 3-[(6-chloropyrazine-2-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103337286
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
methyl 3-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-(2-methylpropyl)amino]propanoate
CID 66376689
methyl 3-[(2-bromopyridine-4-carbonyl)-(2-methylpropyl)amino]propanoate
CID 103752528
5-chloro-N-cyclopentyl-N-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619458
methyl 3-[(2-bromo-5-fluorobenzoyl)-(2-methylpropyl)amino]propanoate
CID 60857728
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
5-chloro-N-(2-cyanopropyl)-N-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 80625372
methyl 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-methylamino]butanoate
CID 80606553
5-chloro-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,4-thiadiazole-2-carboxamide
CID 81058718

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate (CID 80625299) is methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)c1nnc(Cl)s1.
What is the InChIKey of methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate?
The InChIKey is FOJCCKUKATYQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-7(2)6-15(5-4-8(16)18-3)10(17)9-13-14-11(12)19-9/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate?
methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate has a molecular weight of 305.79 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 80625299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).