4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H16N6OS — CID 90564904

IUPAC4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C18H16N6OS/c1-12-16(26-18(21-12)23-8-3-4-9-23)17(25)22-14-5-6-15(20-11-14)24-10-7-19-13(24)2/h3-11H,1-2H3,(H,22,25)
InChIKeyUQQNUGQOHDQQSQ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 90564904) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID90564904
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC Name4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(-n2ccnc2C)nc1
InChIInChI=1S/C18H16N6OS/c1-12-16(26-18(21-12)23-8-3-4-9-23)17(25)22-14-5-6-15(20-11-14)24-10-7-19-13(24)2/h3-11H,1-2H3,(H,22,25)
InChIKeyUQQNUGQOHDQQSQ-UHFFFAOYSA-N
XLogP3.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 90564904) is 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(-n2ccnc2C)nc1.
What is the InChIKey of 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UQQNUGQOHDQQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-12-16(26-18(21-12)23-8-3-4-9-23)17(25)22-14-5-6-15(20-11-14)24-10-7-19-13(24)2/h3-11H,1-2H3,(H,22,25).
What are the key properties of 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90564904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).