4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide

C13H15ClN4O2S — CID 120589978

IUPAC4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN4O2S/c1-20-10(7-15)6-11(19)16-13-18-17-12(21-13)8-3-2-4-9(14)5-8/h2-5,10H,6-7,15H2,1H3,(H,16,18,19)
InChIKeyNIWRSTNTXSCYCW-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.16
Rot. Bonds6

About 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide

4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide (PubChem CID 120589978) has the molecular formula C13H15ClN4O2S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
PubChem CID120589978
Molecular FormulaC13H15ClN4O2S
Molecular Weight326.81 g/mol
Exact Mass326.06
IUPAC Name4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C13H15ClN4O2S/c1-20-10(7-15)6-11(19)16-13-18-17-12(21-13)8-3-2-4-9(14)5-8/h2-5,10H,6-7,15H2,1H3,(H,16,18,19)
InChIKeyNIWRSTNTXSCYCW-UHFFFAOYSA-N
XLogP2.16
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745181
4-amino-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 103156755
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537951
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
ethyl 4-[[(2S)-butan-2-yl]-[3-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]amino]-4-oxobutanoate
CID 93097351
ethyl 4-[[(2R)-butan-2-yl]-[3-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]amino]-4-oxobutanoate
CID 93097350
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82105723

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide (CID 120589978) is 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide?
The InChIKey is NIWRSTNTXSCYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2S/c1-20-10(7-15)6-11(19)16-13-18-17-12(21-13)8-3-2-4-9(14)5-8/h2-5,10H,6-7,15H2,1H3,(H,16,18,19).
What are the key properties of 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide?
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide has a molecular weight of 326.81 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 120589978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).