2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole

C12H10N2S — CID 121012004

IUPAC2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole
SMILESCc1nc2cc(-c3ccccc3)[nH]c2s1
InChIInChI=1S/C12H10N2S/c1-8-13-11-7-10(14-12(11)15-8)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyAMTODJIMQZGYRG-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.60
Rot. Bonds1

About 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole

2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole (PubChem CID 121012004) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole.

Molecular Properties

Compound Name2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole
PubChem CID121012004
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole
SMILESCc1nc2cc(-c3ccccc3)[nH]c2s1
InChIInChI=1S/C12H10N2S/c1-8-13-11-7-10(14-12(11)15-8)9-5-3-2-4-6-9/h2-7,14H,1H3
InChIKeyAMTODJIMQZGYRG-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 21258108
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
CID 124603534
2-methyl-6-phenyl-1,3-benzothiazol-5-amine
CID 58470111
8-methyl-3-phenyl-2H-benzo[b][1,6]naphthyridin-1-one
CID 102599004
2-methyl-N,6-diphenyl-5H-pyrrolo[3,2-d]pyrimidin-3-ium-4-amine
CID 123597647
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
CID 4654127
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
2-phenyl-5-[4-(5-phenyl-1H-pyrrol-2-yl)phenyl]-1H-pyrrole
CID 129072505
2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidine
CID 72698299
4-(bromomethyl)-2-methyl-5-phenyl-1,3-thiazole
CID 130090867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole?
The IUPAC name of 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole (CID 121012004) is 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole.
What is the SMILES notation for 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole?
The canonical SMILES for 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole is Cc1nc2cc(-c3ccccc3)[nH]c2s1.
What is the InChIKey of 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole?
The InChIKey is AMTODJIMQZGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-8-13-11-7-10(14-12(11)15-8)9-5-3-2-4-6-9/h2-7,14H,1H3.
What are the key properties of 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole?
2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole has a molecular weight of 214.29 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-4H-pyrrolo[3,2-d][1,3]thiazole is sourced from PubChem (CID 121012004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).