4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

C18H14ClFN4S — CID 24954653

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)cc1
InChIInChI=1S/C18H14ClFN4S/c19-16-15(8-12-10-22-17-14(12)2-1-7-21-17)25-18(24-16)23-9-11-3-5-13(20)6-4-11/h1-7,10H,8-9H2,(H,21,22)(H,23,24)
InChIKeyMVFNQLGDFLHOIU-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.01
Rot. Bonds5

About 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine

4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 24954653) has the molecular formula C18H14ClFN4S and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
PubChem CID24954653
Molecular FormulaC18H14ClFN4S
Molecular Weight372.86 g/mol
Exact Mass372.06
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)cc1
InChIInChI=1S/C18H14ClFN4S/c19-16-15(8-12-10-22-17-14(12)2-1-7-21-17)25-18(24-16)23-9-11-3-5-13(20)6-4-11/h1-7,10H,8-9H2,(H,21,22)(H,23,24)
InChIKeyMVFNQLGDFLHOIU-UHFFFAOYSA-N
XLogP5.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine (CID 24954653) is 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is Fc1ccc(CNc2nc(Cl)c(Cc3c[nH]c4ncccc34)s2)cc1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is MVFNQLGDFLHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4S/c19-16-15(8-12-10-22-17-14(12)2-1-7-21-17)25-18(24-16)23-9-11-3-5-13(20)6-4-11/h1-7,10H,8-9H2,(H,21,22)(H,23,24).
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine?
4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 372.86 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24954653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).