4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

C15H22N6OS2 — CID 136512975

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)NC(C)c3ncc(C)s3)CC2)n1
InChIInChI=1S/C15H22N6OS2/c1-4-12-18-15(24-19-12)21-7-5-20(6-8-21)14(22)17-11(3)13-16-9-10(2)23-13/h9,11H,4-8H2,1-3H3,(H,17,22)
InChIKeyVCGCKSYZJMTIHY-UHFFFAOYSA-N
MW366.52 g/mol
LogP2.46
Rot. Bonds4

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 136512975) has the molecular formula C15H22N6OS2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID136512975
Molecular FormulaC15H22N6OS2
Molecular Weight366.52 g/mol
Exact Mass366.13
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCCc1nsc(N2CCN(C(=O)NC(C)c3ncc(C)s3)CC2)n1
InChIInChI=1S/C15H22N6OS2/c1-4-12-18-15(24-19-12)21-7-5-20(6-8-21)14(22)17-11(3)13-16-9-10(2)23-13/h9,11H,4-8H2,1-3H3,(H,17,22)
InChIKeyVCGCKSYZJMTIHY-UHFFFAOYSA-N
XLogP2.46
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-oxoimidazolidine-1-carboxamide
CID 119048114
ethyl (2R)-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoate
CID 124505890
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 111841012
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 133328642
(2R)-2-ethyl-2-methyl-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99789877
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 136528933
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-yl-1,4-diazepane-1-carboxamide
CID 71992611
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (CID 136512975) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is CCc1nsc(N2CCN(C(=O)NC(C)c3ncc(C)s3)CC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is VCGCKSYZJMTIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS2/c1-4-12-18-15(24-19-12)21-7-5-20(6-8-21)14(22)17-11(3)13-16-9-10(2)23-13/h9,11H,4-8H2,1-3H3,(H,17,22).
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 366.52 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 136512975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).