4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

C19H20FN3S — CID 24505635

IUPAC4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(C)n1C1CC1
InChIInChI=1S/C19H20FN3S/c1-12-9-17(13(2)23(12)16-7-8-16)18-11-24-19(22-18)21-10-14-3-5-15(20)6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyDPKADNJRCLFORN-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.31
Rot. Bonds5

About 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 24505635) has the molecular formula C19H20FN3S and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID24505635
Molecular FormulaC19H20FN3S
Molecular Weight341.46 g/mol
Exact Mass341.14
IUPAC Name4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(C)n1C1CC1
InChIInChI=1S/C19H20FN3S/c1-12-9-17(13(2)23(12)16-7-8-16)18-11-24-19(22-18)21-10-14-3-5-15(20)6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyDPKADNJRCLFORN-UHFFFAOYSA-N
XLogP5.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 24505635) is 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Cc1cc(-c2csc(NCc3ccc(F)cc3)n2)c(C)n1C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DPKADNJRCLFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3S/c1-12-9-17(13(2)23(12)16-7-8-16)18-11-24-19(22-18)21-10-14-3-5-15(20)6-4-14/h3-6,9,11,16H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 341.46 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24505635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).