N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H14N4OS2 — CID 52898394

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C18H14N4OS2/c1-12-11-24-17(19-12)21-16(23)15-14(13-7-3-2-4-8-13)20-18(25-15)22-9-5-6-10-22/h2-11H,1H3,(H,19,21,23)
InChIKeySOHJAZLYTXOWAI-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.62
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 52898394) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID52898394
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C18H14N4OS2/c1-12-11-24-17(19-12)21-16(23)15-14(13-7-3-2-4-8-13)20-18(25-15)22-9-5-6-10-22/h2-11H,1H3,(H,19,21,23)
InChIKeySOHJAZLYTXOWAI-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 52898394) is N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1csc(NC(=O)c2sc(-n3cccc3)nc2-c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SOHJAZLYTXOWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-12-11-24-17(19-12)21-16(23)15-14(13-7-3-2-4-8-13)20-18(25-15)22-9-5-6-10-22/h2-11H,1H3,(H,19,21,23).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-phenyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52898394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).