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

C16H14FN3OS — CID 20889844

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c1-11-14(22-16(19-11)20-8-2-3-9-20)15(21)18-10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJQMGGQYLQMZSCS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.31
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 20889844) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID20889844
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c1-11-14(22-16(19-11)20-8-2-3-9-20)15(21)18-10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyJQMGGQYLQMZSCS-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10402473
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CID 49862157
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CID 2440658
CID 2440658
CID 3267821
CID 3267821
CID 940243
CID 940243
CID 2660431
CID 2660431
CID 3501185
CID 3501185
CID 10369377
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CID 16029593
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CID 16029632
CID 16029632

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 20889844) is N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JQMGGQYLQMZSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-11-14(22-16(19-11)20-8-2-3-9-20)15(21)18-10-12-4-6-13(17)7-5-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20889844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).