3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione

C11H17N5S2 — CID 82435554

IUPAC3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
SMILESCC(C)c1nc(N(C)C)sc1-c1n[nH]c(=S)n1C
InChIInChI=1S/C11H17N5S2/c1-6(2)7-8(18-11(12-7)15(3)4)9-13-14-10(17)16(9)5/h6H,1-5H3,(H,14,17)
InChIKeyILSQRCIEDFQBOX-UHFFFAOYSA-N
MW283.43 g/mol
LogP2.79
Rot. Bonds3

About 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione

3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione (PubChem CID 82435554) has the molecular formula C11H17N5S2 and a molecular weight of 283.43 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
PubChem CID82435554
Molecular FormulaC11H17N5S2
Molecular Weight283.43 g/mol
Exact Mass283.09
IUPAC Name3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
SMILESCC(C)c1nc(N(C)C)sc1-c1n[nH]c(=S)n1C
InChIInChI=1S/C11H17N5S2/c1-6(2)7-8(18-11(12-7)15(3)4)9-13-14-10(17)16(9)5/h6H,1-5H3,(H,14,17)
InChIKeyILSQRCIEDFQBOX-UHFFFAOYSA-N
XLogP2.79
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-tert-butyl-2-(dimethylamino)-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 82439622
3-(4-tert-butyl-2-propan-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82438369
4-methyl-3-(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82431368
4-butan-2-yl-3-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 82433556
3-(2-tert-butyl-4-propan-2-yl-1,3-thiazol-5-yl)-4-ethyl-1H-1,2,4-triazole-5-thione
CID 82434645
N,N-dimethyl-4-propan-2-yl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82435562
4-methyl-3-[methyl(propan-2-yl)amino]-1H-1,2,4-triazole-5-thione
CID 43645496
3-(4-tert-butyl-2-ethyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82438308
3-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82436982
3-(3-chloro-1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 694414
3-(1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 67070517
3-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82436172

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione (CID 82435554) is 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione is CC(C)c1nc(N(C)C)sc1-c1n[nH]c(=S)n1C.
What is the InChIKey of 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione?
The InChIKey is ILSQRCIEDFQBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S2/c1-6(2)7-8(18-11(12-7)15(3)4)9-13-14-10(17)16(9)5/h6H,1-5H3,(H,14,17).
What are the key properties of 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione?
3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione has a molecular weight of 283.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]-4-methyl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 82435554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).