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

C12H18N6S2 — CID 82514892

IUPAC5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCN(c2nc(-c3nnc(NC)s3)cs2)CC1
InChIInChI=1S/C12H18N6S2/c1-3-17-4-6-18(7-5-17)12-14-9(8-19-12)10-15-16-11(13-2)20-10/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyHYJLTDNASJYVKM-UHFFFAOYSA-N
MW310.45 g/mol
LogP1.85
Rot. Bonds4

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

5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 82514892) has the molecular formula C12H18N6S2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID82514892
Molecular FormulaC12H18N6S2
Molecular Weight310.45 g/mol
Exact Mass310.10
IUPAC Name5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCN1CCN(c2nc(-c3nnc(NC)s3)cs2)CC1
InChIInChI=1S/C12H18N6S2/c1-3-17-4-6-18(7-5-17)12-14-9(8-19-12)10-15-16-11(13-2)20-10/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyHYJLTDNASJYVKM-UHFFFAOYSA-N
XLogP1.85
TPSA57.18 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82514870
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CID 102103813
4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 122668603
4-(bromomethyl)-2-(4-ethylpiperazin-1-yl)-1,3-thiazole
CID 82514901
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]cyclopentanamine
CID 82514904
2-(4-ethyl-1,4-diazepan-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 133454665
N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82425351
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
acetaldehyde;N-methyl-5-[4-([1,3]thiazolo[5,4-b]pyridin-6-ylmethyl)piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 145356877
2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167588
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62752073

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 82514892) is 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is CCN1CCN(c2nc(-c3nnc(NC)s3)cs2)CC1.
What is the InChIKey of 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HYJLTDNASJYVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S2/c1-3-17-4-6-18(7-5-17)12-14-9(8-19-12)10-15-16-11(13-2)20-10/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 310.45 g/mol, XLogP of 1.85, 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)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82514892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).