N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

C20H23N3S — CID 25012896

IUPACN-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NC(C)C)cc3)cs2)ccn1
InChIInChI=1S/C20H23N3S/c1-4-5-18-12-16(10-11-21-18)20-23-19(13-24-20)15-6-8-17(9-7-15)22-14(2)3/h6-14,22H,4-5H2,1-3H3
InChIKeyGOKVUOGCZQKXQS-UHFFFAOYSA-N
MW337.49 g/mol
LogP5.64
Rot. Bonds6

About N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 25012896) has the molecular formula C20H23N3S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID25012896
Molecular FormulaC20H23N3S
Molecular Weight337.49 g/mol
Exact Mass337.16
IUPAC NameN-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NC(C)C)cc3)cs2)ccn1
InChIInChI=1S/C20H23N3S/c1-4-5-18-12-16(10-11-21-18)20-23-19(13-24-20)15-6-8-17(9-7-15)22-14(2)3/h6-14,22H,4-5H2,1-3H3
InChIKeyGOKVUOGCZQKXQS-UHFFFAOYSA-N
XLogP5.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 25012896) is N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is CCCc1cc(-c2nc(-c3ccc(NC(C)C)cc3)cs2)ccn1.
What is the InChIKey of N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is GOKVUOGCZQKXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S/c1-4-5-18-12-16(10-11-21-18)20-23-19(13-24-20)15-6-8-17(9-7-15)22-14(2)3/h6-14,22H,4-5H2,1-3H3.
What are the key properties of N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 337.49 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 25012896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).