4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole

C9H10N2S — CID 136988755

IUPAC4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1C
InChIInChI=1S/C9H10N2S/c1-6-7(2)12-9(11-6)8-3-4-10-5-8/h3-5,10H,1-2H3
InChIKeyUZGWRNWXKAWQQW-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.76
Rot. Bonds1

About 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole

4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136988755) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136988755
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1C
InChIInChI=1S/C9H10N2S/c1-6-7(2)12-9(11-6)8-3-4-10-5-8/h3-5,10H,1-2H3
InChIKeyUZGWRNWXKAWQQW-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
2-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988525
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
3-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]oxetane-3-carbonitrile
CID 136988714
4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988576
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
4,5-dimethyl-2-[4-(2-methylpropyl)phenyl]-1,3-thiazole
CID 116887615
4-(4,5-dimethyl-1,3-thiazol-2-yl)benzoyl chloride
CID 21313618
2-(2,3-dihydro-1H-indol-5-yl)-4,5-dimethyl-1,3-thiazole
CID 82474601
2,4-dimethyl-6-(1H-pyrrol-3-yl)pyrimidin-5-amine
CID 82468666
4-(1H-pyrrol-3-yl)-1,3-thiazole-2,5-diamine
CID 82468326
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
CID 136995812

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136988755) is 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole is Cc1nc(-c2cc[nH]c2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is UZGWRNWXKAWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-7(2)12-9(11-6)8-3-4-10-5-8/h3-5,10H,1-2H3.
What are the key properties of 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 178.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136988755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).