5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione

C8H10N4S3 — CID 106037867

IUPAC5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCc1nc(CCNc2n[nH]c(=S)s2)cs1
InChIInChI=1S/C8H10N4S3/c1-5-10-6(4-14-5)2-3-9-7-11-12-8(13)15-7/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyYLPROGOGCLDJDH-UHFFFAOYSA-N
MW258.40 g/mol
LogP2.62
Rot. Bonds4

About 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione

5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 106037867) has the molecular formula C8H10N4S3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID106037867
Molecular FormulaC8H10N4S3
Molecular Weight258.40 g/mol
Exact Mass258.01
IUPAC Name5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
SMILESCc1nc(CCNc2n[nH]c(=S)s2)cs1
InChIInChI=1S/C8H10N4S3/c1-5-10-6(4-14-5)2-3-9-7-11-12-8(13)15-7/h4H,2-3H2,1H3,(H,9,11)(H,12,13)
InChIKeyYLPROGOGCLDJDH-UHFFFAOYSA-N
XLogP2.62
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106049310
2-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106035818
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036173
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
6-N,2-diethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 106041828
3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106048419
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106038951
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
3,5-difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 106034765
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione (CID 106037867) is 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione is Cc1nc(CCNc2n[nH]c(=S)s2)cs1.
What is the InChIKey of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is YLPROGOGCLDJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S3/c1-5-10-6(4-14-5)2-3-9-7-11-12-8(13)15-7/h4H,2-3H2,1H3,(H,9,11)(H,12,13).
What are the key properties of 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione?
5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 258.40 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 106037867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).