4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione

C9H8N2S2 — CID 82161852

IUPAC4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1-c1ccccn1
InChIInChI=1S/C9H8N2S2/c1-6-8(13-9(12)11-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)
InChIKeyKYZRCKIGEWBCPJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.18
Rot. Bonds1

About 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione

4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione (PubChem CID 82161852) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione
PubChem CID82161852
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione
SMILESCc1[nH]c(=S)sc1-c1ccccn1
InChIInChI=1S/C9H8N2S2/c1-6-8(13-9(12)11-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12)
InChIKeyKYZRCKIGEWBCPJ-UHFFFAOYSA-N
XLogP3.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-pyridin-2-yl-3H-1,3-thiazole-2-thione
CID 28805685
2-methyl-5-pyridin-2-yl-1,3-thiazol-4-amine
CID 82373528
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
CID 55265010
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
5-(2-butoxyphenyl)-4-methyl-3H-1,3-thiazole-2-thione
CID 82161342
2,5-dimethyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 106517813
2-methyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 53330998
2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
6-methyl-2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 137429492
(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)methanamine
CID 39240932

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione (CID 82161852) is 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione is Cc1[nH]c(=S)sc1-c1ccccn1.
What is the InChIKey of 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione?
The InChIKey is KYZRCKIGEWBCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-6-8(13-9(12)11-6)7-4-2-3-5-10-7/h2-5H,1H3,(H,11,12).
What are the key properties of 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione?
4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione has a molecular weight of 208.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82161852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).