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

C21H23N3S — CID 25012900

IUPACN-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NCC4CC4)cc3)cs2)ccn1
InChIInChI=1S/C21H23N3S/c1-2-3-19-12-17(10-11-22-19)21-24-20(14-25-21)16-6-8-18(9-7-16)23-13-15-4-5-15/h6-12,14-15,23H,2-5,13H2,1H3
InChIKeyFMHQDMWHNYEVMV-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.65
Rot. Bonds7

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

N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 25012900) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID25012900
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC NameN-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCCCc1cc(-c2nc(-c3ccc(NCC4CC4)cc3)cs2)ccn1
InChIInChI=1S/C21H23N3S/c1-2-3-19-12-17(10-11-22-19)21-24-20(14-25-21)16-6-8-18(9-7-16)23-13-15-4-5-15/h6-12,14-15,23H,2-5,13H2,1H3
InChIKeyFMHQDMWHNYEVMV-UHFFFAOYSA-N
XLogP5.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 25012900) is N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is CCCc1cc(-c2nc(-c3ccc(NCC4CC4)cc3)cs2)ccn1.
What is the InChIKey of N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is FMHQDMWHNYEVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-2-3-19-12-17(10-11-22-19)21-24-20(14-25-21)16-6-8-18(9-7-16)23-13-15-4-5-15/h6-12,14-15,23H,2-5,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 349.50 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 25012900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).