N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide

C20H16N4OS — CID 90149631

IUPACN-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Nc3ccccc3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C20H16N4OS/c25-20(18-12-26-13-21-18)23-16-8-6-14(7-9-16)17-10-11-19(24-17)22-15-4-2-1-3-5-15/h1-13,22,24H,(H,23,25)
InChIKeyUBBJXKMWFGNARE-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.13
Rot. Bonds5

About N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide

N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 90149631) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID90149631
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(Nc3ccccc3)[nH]2)cc1)c1cscn1
InChIInChI=1S/C20H16N4OS/c25-20(18-12-26-13-21-18)23-16-8-6-14(7-9-16)17-10-11-19(24-17)22-15-4-2-1-3-5-15/h1-13,22,24H,(H,23,25)
InChIKeyUBBJXKMWFGNARE-UHFFFAOYSA-N
XLogP5.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[4-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 74223854
N-[4-[2-(3-chloro-2-methylphenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149632
N-[4-[2-(3-chloro-2-fluorophenyl)-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149391
N,5-diphenyl-1H-pyrrol-2-amine
CID 151095134
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[4-[2-[[4-phenylmethoxy-2-[3-(trifluoromethyl)phenyl]butanoyl]amino]-1H-imidazol-5-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 118494569
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-quinolin-6-yl-1,3-thiazole-4-carboxamide
CID 63047708
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 90149631) is N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(-c2ccc(Nc3ccccc3)[nH]2)cc1)c1cscn1.
What is the InChIKey of N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UBBJXKMWFGNARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c25-20(18-12-26-13-21-18)23-16-8-6-14(7-9-16)17-10-11-19(24-17)22-15-4-2-1-3-5-15/h1-13,22,24H,(H,23,25).
What are the key properties of N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide?
N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90149631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).