N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C17H12F3N5OS — CID 146186543

IUPACN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cc4scnc4[nH]3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H12F3N5OS/c1-9-6-25(7-21-9)12-3-10(17(18,19)20)2-11(4-12)23-16(26)13-5-14-15(24-13)22-8-27-14/h2-8,24H,1H3,(H,23,26)
InChIKeyUMBMBWLUHDNBMR-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.39
Rot. Bonds3

About N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 146186543) has the molecular formula C17H12F3N5OS and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID146186543
Molecular FormulaC17H12F3N5OS
Molecular Weight391.38 g/mol
Exact Mass391.07
IUPAC NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cc4scnc4[nH]3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H12F3N5OS/c1-9-6-25(7-21-9)12-3-10(17(18,19)20)2-11(4-12)23-16(26)13-5-14-15(24-13)22-8-27-14/h2-8,24H,1H3,(H,23,26)
InChIKeyUMBMBWLUHDNBMR-UHFFFAOYSA-N
XLogP4.39
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 146186543) is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is Cc1cn(-c2cc(NC(=O)c3cc4scnc4[nH]3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is UMBMBWLUHDNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5OS/c1-9-6-25(7-21-9)12-3-10(17(18,19)20)2-11(4-12)23-16(26)13-5-14-15(24-13)22-8-27-14/h2-8,24H,1H3,(H,23,26).
What are the key properties of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 146186543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).