2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H24N4O2S — CID 11233348

IUPAC2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCN(CCC)CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H24N4O2S/c1-4-10-21(11-5-2)12-15(22)18-17-20-19-16(24-17)13-6-8-14(23-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,20,22)
InChIKeyKGOFAKQJFWFHMY-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.27
Rot. Bonds9

About 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 11233348) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID11233348
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCCN(CCC)CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H24N4O2S/c1-4-10-21(11-5-2)12-15(22)18-17-20-19-16(24-17)13-6-8-14(23-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,20,22)
InChIKeyKGOFAKQJFWFHMY-UHFFFAOYSA-N
XLogP3.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4769785
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-methoxy-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-N-propylbenzamide
CID 42736509
N-butan-2-yl-N-[3-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]octanamide
CID 4285184
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
(2S)-2-(dimethylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 97329088
3-[(3-ethylphenyl)carbamoyl-propylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 42736670
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100610718
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100758095
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 11233348) is 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CCCN(CCC)CC(=O)Nc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KGOFAKQJFWFHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-10-21(11-5-2)12-15(22)18-17-20-19-16(24-17)13-6-8-14(23-3)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,18,20,22).
What are the key properties of 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 348.47 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 11233348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).