2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate

C12H21N3O2S — CID 20701446

IUPAC2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
SMILESCCCN(CCC)CCOC(=O)c1snnc1C
InChIInChI=1S/C12H21N3O2S/c1-4-6-15(7-5-2)8-9-17-12(16)11-10(3)13-14-18-11/h4-9H2,1-3H3
InChIKeyZTVZTLOMSLAELR-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.13
Rot. Bonds8

About 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate

2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate (PubChem CID 20701446) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
PubChem CID20701446
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate
SMILESCCCN(CCC)CCOC(=O)c1snnc1C
InChIInChI=1S/C12H21N3O2S/c1-4-6-15(7-5-2)8-9-17-12(16)11-10(3)13-14-18-11/h4-9H2,1-3H3
InChIKeyZTVZTLOMSLAELR-UHFFFAOYSA-N
XLogP2.13
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(diethylamino)ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]benzoate
CID 21008218
4-methylthiadiazole-5-carbonyl chloride;4-(4-methylthiadiazole-5-carbonyl)oxybut-2-ynyl 4-methylthiadiazole-5-carboxylate
CID 157407185
N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 80660951
N-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
[2-(4-ethylanilino)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576923
(3,4-dichlorophenyl)methyl 4-methylthiadiazole-5-carboxylate
CID 7576962
[2-(4-chlorophenyl)-2-oxoethyl] 4-methylthiadiazole-5-carboxylate
CID 7576813
2-bromo-1-(4-methylthiadiazol-5-yl)ethanone;hydrobromide
CID 23003557
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
2-(2,5-dinitrophenoxy)ethyl 4-methylthiadiazole-5-carboxylate
CID 134112914
1-(4-methylthiadiazol-5-yl)prop-2-yn-1-one
CID 105108161

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate?
The IUPAC name of 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate (CID 20701446) is 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate.
What is the SMILES notation for 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate?
The canonical SMILES for 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate is CCCN(CCC)CCOC(=O)c1snnc1C.
What is the InChIKey of 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate?
The InChIKey is ZTVZTLOMSLAELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-6-15(7-5-2)8-9-17-12(16)11-10(3)13-14-18-11/h4-9H2,1-3H3.
What are the key properties of 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate?
2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate has a molecular weight of 271.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)ethyl 4-methylthiadiazole-5-carboxylate is sourced from PubChem (CID 20701446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).