5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C12H18N6S2 — CID 82424866

IUPAC5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCN(Cc2ncc(-c3nnc(N)s3)s2)CC1
InChIInChI=1S/C12H18N6S2/c1-2-17-3-5-18(6-4-17)8-10-14-7-9(19-10)11-15-16-12(13)20-11/h7H,2-6,8H2,1H3,(H2,13,16)
InChIKeyYXIOZUAMLWRJCG-UHFFFAOYSA-N
MW310.45 g/mol
LogP1.38
Rot. Bonds4

About 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82424866) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82424866
Molecular FormulaC12H18N6S2
Molecular Weight310.45 g/mol
Exact Mass310.10
IUPAC Name5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCN(Cc2ncc(-c3nnc(N)s3)s2)CC1
InChIInChI=1S/C12H18N6S2/c1-2-17-3-5-18(6-4-17)8-10-14-7-9(19-10)11-15-16-12(13)20-11/h7H,2-6,8H2,1H3,(H2,13,16)
InChIKeyYXIOZUAMLWRJCG-UHFFFAOYSA-N
XLogP1.38
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-methyl-5-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82424784
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(4-ethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103055404
1-[1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]ethanol
CID 106837633
5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82423750
5-(4-ethylpiperazin-1-yl)-1,3-thiazol-2-amine
CID 137358353
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422602
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
4-propyl-3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82424692
5-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82424846
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
5-(1-ethylpyrazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 64985311

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82424866) is 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCN1CCN(Cc2ncc(-c3nnc(N)s3)s2)CC1.
What is the InChIKey of 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YXIOZUAMLWRJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S2/c1-2-17-3-5-18(6-4-17)8-10-14-7-9(19-10)11-15-16-12(13)20-11/h7H,2-6,8H2,1H3,(H2,13,16).
What are the key properties of 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 310.45 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82424866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).