2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole

C9H10N2S — CID 1485669

IUPAC2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
SMILESCc1ccc(C)n1-c1nccs1
InChIInChI=1S/C9H10N2S/c1-7-3-4-8(2)11(7)9-10-5-6-12-9/h3-6H,1-2H3
InChIKeyCHBSNIJSWRBGHR-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.55
Rot. Bonds1

About 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole

2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole (PubChem CID 1485669) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
PubChem CID1485669
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole
SMILESCc1ccc(C)n1-c1nccs1
InChIInChI=1S/C9H10N2S/c1-7-3-4-8(2)11(7)9-10-5-6-12-9/h3-6H,1-2H3
InChIKeyCHBSNIJSWRBGHR-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
Thiourea, N-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-N'-2-thiazolyl-
CID 3001098
1-(1,3-thiazol-2-yl)-1H-pyrrole-2-carbaldehyde oxime
CID 5912217
Pyridin-2-yl-(4-thiophen-2-yl-thiazol-2-yl)-amine
CID 649291
4'-Methyl-N2-(pyridin-2-yl)-[4,5'-bithiazole]-2,2'-diamine
CID 2867228
1-(1,3-thiazol-2-yl)-1H-pyrrole-2-carbonitrile
CID 1477841
4-Methyl-5-(2-methylpyrimidin-4-yl)-2-(2-thienyl)-1,3-thiazole
CID 2744269
3-Methyl-6-(2-thienyl)imidazo[2,1-b][1,3]thiazole
CID 15062067
Thiazolamine, N-ethyl-N-phenyl-
CID 116522
2-(1-(3-methyl-2-buten-1-yl)-4-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16187328
2-(1-isopropyl-4-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-2-piperazinyl)ethanol
CID 16188820
N-(3-fluorophenyl)-1-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-3-piperidinamine
CID 45240229

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole (CID 1485669) is 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole is Cc1ccc(C)n1-c1nccs1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
The InChIKey is CHBSNIJSWRBGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-7-3-4-8(2)11(7)9-10-5-6-12-9/h3-6H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole?
2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole has a molecular weight of 178.26 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole is sourced from PubChem (CID 1485669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).