4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide

C12H21N5OS — CID 65209933

IUPAC4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C12H21N5OS/c1-3-10-11(19-15-14-10)12(18)16(2)8-9-17-6-4-13-5-7-17/h13H,3-9H2,1-2H3
InChIKeyBQNOXEAUAXMKER-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.08
Rot. Bonds5

About 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide (PubChem CID 65209933) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
PubChem CID65209933
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C12H21N5OS/c1-3-10-11(19-15-14-10)12(18)16(2)8-9-17-6-4-13-5-7-17/h13H,3-9H2,1-2H3
InChIKeyBQNOXEAUAXMKER-UHFFFAOYSA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylthiadiazole-5-carboxamide
CID 65209875
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63265603
N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65210107
3-chloro-N,4-dimethyl-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 103403645
4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79382432
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506
N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265460
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N,3,6-trimethyl-N-(2-piperazin-1-ylethyl)pyridazine-4-carboxamide
CID 104671415
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
4-ethyl-N-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiadiazole-5-carboxamide
CID 129331453
N-methyl-N-(2-piperazin-1-ylethyl)-1H-indazole-3-carboxamide
CID 63265749

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide (CID 65209933) is 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)CCN1CCNCC1.
What is the InChIKey of 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is BQNOXEAUAXMKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-3-10-11(19-15-14-10)12(18)16(2)8-9-17-6-4-13-5-7-17/h13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65209933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).